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2-[4-(4-methoxy-benzyl)-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-[1,4]-benzodiazepin-2-yl]-N-trityl-acetamide
SpectraBase Compound ID D7dmcXCf5DU
InChI InChI=1S/C39H36N4O5/c1-41-35-23-20-33(43(46)47)24-29(35)27-42(26-28-18-21-34(48-2)22-19-28)38(45)36(41)25-37(44)40-39(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-24,36H,25-27H2,1-2H3,(H,40,44)
InChIKey CIUQCTNULABYOF-UHFFFAOYSA-N
Mol Weight 640.7 g/mol
Molecular Formula C39H36N4O5
Exact Mass 640.26857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Qz0W0R8KRj
Name 2-[4-(4-methoxy-benzyl)-1-methyl-7-nitro-3-oxo-2,3,4,5-tetrahydro-1H-[1,4]-benzodiazepin-2-yl]-N-trityl-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H36N4O5
InChI InChI=1S/C39H36N4O5/c1-41-35-23-20-33(43(46)47)24-29(35)27-42(26-28-18-21-34(48-2)22-19-28)38(45)36(41)25-37(44)40-39(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-24,36H,25-27H2,1-2H3,(H,40,44)
InChIKey CIUQCTNULABYOF-UHFFFAOYSA-N
Molecular Weight 640.740 g/mol
SMILES N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(CC1N(C)c2c(CN(C1=O)Cc1ccc(OC)cc1)cc(N(=O)=O)cc2)=O
SPLASH splash10-0006-0094000000-28a658787fdddeee1cbc
Source of Spectrum F-65-4527-15
Wiley ID 1680982