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YXJAFOZTPWSEFN-VXPUYCOJSA-N
SpectraBase Compound ID 4npRBxXvBH
InChI InChI=1S/C20H17N3O2S/c1-15-14-22(12-11-16-5-3-2-4-6-16)20(26-15)19(13-21)17-7-9-18(10-8-17)23(24)25/h2-10,14H,11-12H2,1H3/b20-19-
InChIKey YXJAFOZTPWSEFN-VXPUYCOJSA-N
Mol Weight 363.44 g/mol
Molecular Formula C20H17N3O2S
Exact Mass 363.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CySLplQcMJE
Name (2E)-2-(5-methyl-3-phenethyl-1,3-thiazol-2-ylidene)-2-(4-nitrophenyl)acetonitrile
Alternate Name(s) (2E)-2-(5-methyl-3-phenethyl-4-thiazolin-2-ylidene)-2-(4-nitrophenyl)acetonitrile (2E)-2-[5-methyl-3-(2-phenylethyl)-2-thiazolylidene]-2-(4-nitrophenyl)acetonitrile (2E)-2-[5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-ylidene]-2-(4-nitrophenyl)acetonitrile (2E)-2-[5-methyl-3-(2-phenylethyl)thiazol-2-ylidene]-2-(4-nitrophenyl)acetonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O2S
InChI InChI=1S/C20H17N3O2S/c1-15-14-22(12-11-16-5-3-2-4-6-16)20(26-15)19(13-21)17-7-9-18(10-8-17)23(24)25/h2-10,14H,11-12H2,1H3/b20-19-
InChIKey YXJAFOZTPWSEFN-VXPUYCOJSA-N
Molecular Weight 363.435 g/mol
SMILES C(\C(=C/1N(C=C(S1)C)CCc1ccccc1)c1ccc(N(=O)=O)cc1)#N
SPLASH splash10-0udi-0901000000-9f966433c3cee97db6dc
Source of Spectrum Y-35-54-15
Wiley ID 1350238