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(N-Benzyloxycarbonyl-L-phenylalanyl-L-alanyl)diazomethane

View entire compound with spectra: 1 MS (GC)

(N-Benzyloxycarbonyl-L-phenylalanyl-L-alanyl)diazomethane
SpectraBase Compound ID Cnyq0y5eh4f
InChI InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1
InChIKey QMPATRQNERZOMF-YJBOKZPZSA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUq1c6aAudZ
Name (N-Benzyloxycarbonyl-L-phenylalanyl-L-alanyl)diazomethane
Alternate Name(s) benzyl (1S)-1-benzyl-2-{[(1S)-3-diazo-1-methyl-2-oxopropyl]amino}-2-oxoethylcarbamate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O4
InChI InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1
InChIKey QMPATRQNERZOMF-YJBOKZPZSA-N
Molecular Weight 394.431 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(Cc1ccccc1)[H])=O)[C@](C(C=[N+]=[N-])=O)(C)[H]
SPLASH splash10-00kf-9008000000-08c9e8582c801d7293d0
Source of Spectrum KC-0-385-2
Wiley ID 829908