4-Hydroxyindan-1-one(40731-98-4) IR2
Product Name4-Hydroxyindan-1-one
CAS40731-98-4
Molecular FormulaC9H8O2
Molecular Weight148.16
InChIInChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
InChIKey CKSCMRNFDBWFND-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C(O)=CC=C2)CC1
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MassMS-IW-2168 4-hydroxy-1-indanone C9H8O2 (Mass of molecular ion: 148)
Source Temperature: 170 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 3.3 27.0 1.8 28.0 1.1 37.0 1.1 38.0 2.3 39.0 7.5 41.0 1.1 43.0 1.4 45.0 2.2 45.5 1.4 46.0 1.4 50.0 3.9 51.0 7.9 52.0 2.1 53.0 2.6 55.0 1.9 59.0 1.9 60.0 1.2 61.0 1.6 62.0 3.5 63.0 8.1 64.0 3.6 65.0 11.7 66.0 2.0 74.0 3.8 75.0 2.1 76.0 1.6 77.0 3.4 78.0 2.1 89.0 4.0 90.0 2.6 91.0 43.7 92.0 17.3 93.0 2.1 94.0 1.2 101.0 1.0 102.0 3.2 103.0 1.6 105.0 3.2 118.0 1.7 119.0 20.3 120.0 65.0 121.0 7.7 131.0 1.3 147.0 10.0 148.0 100.0 149.0 10.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H8 O2 0.038 g : 0.5 ml DMSO-d6 4-hydroxy-1-indanone 
Assign. Shift(ppm)
A 9.98 B 7.247 C 7.107 D 7.065 E 2.939 F 2.604
Hz ppm Int.3988.34 9.980 878 2904.97 7.269 351 2897.34 7.250 828 2889.71 7.231 546 2843.63 7.116 880 2836.30 7.097 665 2827.61 7.076 865 2826.84 7.074 839 2819.82 7.056 713 2819.06 7.054 685 1180.57 2.955 678 1175.08 2.941 803 1169.28 2.926 789 1045.99 2.618 1000 1044.01 2.613 437 1042.18 2.608 617 1040.04 2.603 908 1038.51 2.599 624 1036.83 2.595 385 1034.55 2.589 814
in DMSO-d6
KBr disc
nujol mull
