2-Benzylsulfanyl-N-[2-(3,4-dimethyl-phenoxy)-ethyl]-benzamide

SpectraBase Compound ID	IgDkdvytFu
InChI	InChI=1S/C24H25NO2S/c1-18-12-13-21(16-19(18)2)27-15-14-25-24(26)22-10-6-7-11-23(22)28-17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,25,26)
InChIKey	VPIOHQWJRLXXKC-UHFFFAOYSA-N Google Search
Mol Weight	391.53 g/mol
Molecular Formula	C24H25NO2S
Exact Mass	391.1606 g/mol

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SpectraBase Spectrum ID	7cptmfsh0Xz
Name	2-Benzylsulfanyl-N-[2-(3,4-dimethyl-phenoxy)-ethyl]-benzamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	391.160600221 u
Formula	C24H25NO2S
InChI	InChI=1S/C24H25NO2S/c1-18-12-13-21(16-19(18)2)27-15-14-25-24(26)22-10-6-7-11-23(22)28-17-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,25,26)
InChIKey	VPIOHQWJRLXXKC-UHFFFAOYSA-N
Molecular Weight	391.529 g/mol
SMILES	C1(C(=O)NCCOC=2C=C(C)C(=CC2)C)=C(SCC2=CC=CC=C2)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.897981