S-2-[N-styrylacetamido]phenyl thioacetate

SpectraBase Compound ID	8GGzxAtnjPY
InChI	InChI=1S/C18H17NO2S/c1-14(20)19(13-12-16-8-4-3-5-9-16)17-10-6-7-11-18(17)22-15(2)21/h3-13H,1-2H3/b13-12+
InChIKey	JPROJCLKGHNWKL-OUKQBFOZSA-N Google Search
Mol Weight	311.4 g/mol
Molecular Formula	C18H17NO2S
Exact Mass	311.098 g/mol

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SpectraBase Spectrum ID	90VqJkCUdRN
Name	S-2-[N-Styrylacetamido]phenyl thioacetate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	311.097999963 u
Formula	C18H17NO2S
InChI	InChI=1S/C18H17NO2S/c1-14(20)19(13-12-16-8-4-3-5-9-16)17-10-6-7-11-18(17)22-15(2)21/h3-13H,1-2H3/b13-12+
InChIKey	JPROJCLKGHNWKL-OUKQBFOZSA-N
Molecular Weight	311.399 g/mol
SMILES	C=1(\C=C\N(C=2C(SC(=O)C)=CC=CC2)C(=O)C)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.901613