N-{4'-[4"-(Nitrocinnamoyl)amino]benzoyl}-methionine - Methyl Ester - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	JZYk8p1Cl0I
InChI	InChI=1S/C22H23N3O6S/c1-31-22(28)19(13-14-32-2)24-21(27)16-6-8-17(9-7-16)23-20(26)12-5-15-3-10-18(11-4-15)25(29)30/h3-12,19H,13-14H2,1-2H3,(H,23,26)(H,24,27)/b12-5+
InChIKey	PRPUWTJPFYMAKQ-LFYBBSHMSA-N Google Search
Mol Weight	457.5 g/mol
Molecular Formula	C22H23N3O6S
Exact Mass	457.130757 g/mol

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SpectraBase Spectrum ID	21jEXp13IXw
Name	N-{4'-[4"-(Nitrocinnamoyl)amino]benzoyl}-methionine - Methyl Ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H23N3O6S
InChI	InChI=1S/C22H23N3O6S/c1-31-22(28)19(13-14-32-2)24-21(27)16-6-8-17(9-7-16)23-20(26)12-5-15-3-10-18(11-4-15)25(29)30/h3-12,19H,13-14H2,1-2H3,(H,23,26)(H,24,27)/b12-5+
InChIKey	PRPUWTJPFYMAKQ-LFYBBSHMSA-N
Molecular Weight	457.501 g/mol
SMILES	N(C(\C=C\c1ccc(N(=O)=O)cc1)=O)c1ccc(C(NC(C(=O)OC)CCSC)=O)cc1
SPLASH	splash10-000t-0095100000-6df7cbd478082cc43fc3
Source of Spectrum	D9-335-141-9
Wiley ID	1550945