(3-BROMOPROPYL)PHOSPHONIC ACID(1190-09-6) MS
Product Name(3-BROMOPROPYL)PHOSPHONIC ACID
CAS1190-09-6
Molecular FormulaC3H8BrO3P
Molecular Weight202.97
InChIInChI=1S/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey CXOIECRVHUDBSA-UHFFFAOYSA-N
SmilesP(CCCBr)(=O)(O)O
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MassMS-IW-8621 (3-bromopropyl)phosphonic acid C3H8BrO3P (Mass of molecular ion: 202)
Source Temperature: 240 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 1.0 17.0 3.3 18.0 16.7 19.0 1.3 26.0 4.0 27.0 11.7 28.0 30.2 29.0 6.6 30.0 1.1 31.0 15.0 36.0 1.3 37.0 1.8 38.0 3.6 39.0 21.7 39.5 1.8 40.0 10.7 40.5 1.8 41.0 58.5 42.0 88.6 43.0 4.8 44.0 1.2 45.0 5.0 47.0 13.7 48.0 2.4 55.0 5.7 57.0 9.6 58.0 10.3 63.0 1.3 64.0 4.2 65.0 39.7 66.0 2.3 78.0 2.7 79.0 33.5 80.0 95.1 81.0 36.8 82.0 100.0 83.0 1.5 91.0 2.3 92.0 44.7 93.0 3.6 94.0 15.5 96.0 89.7 97.0 1.9 103.0 1.8 104.0 8.4 105.0 5.1 109.0 1.0 121.0 45.7 122.0 56.9 123.0 13.3 128.0 1.0 168.0 1.3 169.0 1.1 185.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H8 Br O3 P 0.038 g : 0.5 ml DMSO-d6 (3-bromopropyl)phosphonic acid 
Assign. Shift(ppm)
A 10.3 B 3.594 C 1.991 D 1.670
Hz ppm Int.4106.29 10.275 246 1443.48 3.612 486 1436.77 3.596 1000 1430.05 3.579 503 816.65 2.044 70 809.94 2.027 167 804.29 2.013 171 802.31 2.008 201 800.93 2.005 158 799.26 2.000 226 798.19 1.998 220 794.22 1.988 253 792.69 1.984 212 791.02 1.980 200 787.81 1.972 193 786.13 1.968 93 782.78 1.959 180 776.06 1.942 80 683.90 1.712 301 678.71 1.699 196 675.81 1.692 264 673.83 1.687 192 668.18 1.672 263 665.89 1.667 324 660.71 1.654 197 657.81 1.646 274 655.82 1.641 191 650.18 1.627 243
in DMSO-d6
KBr disc
nujol mull
