Dibenzyl phosphate(1623-08-1) IR3
Product NameDibenzyl phosphate
CAS1623-08-1
Molecular FormulaC14H15O4P
Molecular Weight278.24
InChIInChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
InChIKey HDFFVHSMHLDSLO-UHFFFAOYSA-N
SmilesP(O)(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)=O
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MassMS-IW-4007 dibenzyl hydrogen phosphate C14H15O4P (Mass of molecular ion: 278)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
39.0 1.6 51.0 1.3 63.0 1.3 65.0 8.1 77.0 3.2 79.0 3.7 89.0 2.6 90.0 2.5 91.0 100.0 92.0 10.6 105.0 2.9 107.0 12.0 108.0 1.7 178.0 1.1 179.0 3.8 180.0 8.6 181.0 1.4 187.0 14.7 188.0 1.6 277.0 20.2 278.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H15 O4 P 0.05 ml : 0.5 ml CDCl3 dibenzyl hydrogen phosphate 
Assign. Shift(ppm)
A 11.78 B 7.32 to 7.28 C 5.003 J(C,P-31)=7.5HZ
Hz ppm Int.4708.86 11.783 64 2924.65 7.319 57 2923.28 7.315 57 2920.84 7.309 232 2918.70 7.304 1000 2915.95 7.297 271 2913.82 7.291 91 2911.53 7.286 48 2909.85 7.281 39 2909.24 7.280 39 2908.17 7.277 36 2000.89 5.007 270 1993.41 4.988 270
in CDCl3
KBr disc
nujol mull
