For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Diethylphosphonic acid 2-Butyl-6-oxo-5-phenethyl-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-1,6-dihydro-pyrimidin-4-yl ester

View entire compound with spectra: 1 MS (GC)

Diethylphosphonic acid 2-Butyl-6-oxo-5-phenethyl-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-1,6-dihydro-pyrimidin-4-yl ester
SpectraBase Compound ID 3l1wPZ1E4ZT
InChI InChI=1S/C34H39N6O5P/c1-4-7-17-31-35-33(45-46(42,43-5-2)44-6-3)30(23-20-25-13-9-8-10-14-25)34(41)40(31)24-26-18-21-27(22-19-26)28-15-11-12-16-29(28)32-36-38-39-37-32/h8-16,18-19,21-22H,4-7,17,20,23-24H2,1-3H3,(H,36,37,38,39)
InChIKey DPCGSWVQJHNKLX-UHFFFAOYSA-N
Mol Weight 642.7 g/mol
Molecular Formula C34H39N6O5P
Exact Mass 642.271955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1935cfbjRwZ
Name Diethylphosphonic acid 2-Butyl-6-oxo-5-phenethyl-1-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-1,6-dihydro-pyrimidin-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H39N6O5P
InChI InChI=1S/C34H39N6O5P/c1-4-7-17-31-35-33(45-46(42,43-5-2)44-6-3)30(23-20-25-13-9-8-10-14-25)34(41)40(31)24-26-18-21-27(22-19-26)28-15-11-12-16-29(28)32-36-38-39-37-32/h8-16,18-19,21-22H,4-7,17,20,23-24H2,1-3H3,(H,36,37,38,39)
InChIKey DPCGSWVQJHNKLX-UHFFFAOYSA-N
Molecular Weight 642.697 g/mol
SMILES [nH]1c(nnn1)-c1c(-c2ccc(CN3C(=NC(=C(C3=O)CCc3ccccc3)OP(=O)(OCC)OCC)CCCC)cc2)cccc1
SPLASH splash10-03di-0090610000-f14c0ab3a5033201c1ee
Source of Spectrum QA-46-60-30
Synonyms 2-Butyl-6-oxo-5-(2-phenylethyl)-1-{[2'-(1H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4(6H)-pyrimidinyl diethyl phosphate 4-[(2-butyl-4-[(diethoxyphosphoryl)oxy]-6-oxo-5-(2-phenylethyl)-1(6H)-pyrimidinyl)methyl]-2'-(1H-tetraazol-5-yl)-1,1'-biphenyl
Wiley ID 863086