For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(NE)-N-[anilino(phenyl)methylene]azepane-1-carbothioamide
SpectraBase Compound ID AWYDe2fR38Z
InChI InChI=1S/C20H23N3S/c24-20(23-15-9-1-2-10-16-23)22-19(17-11-5-3-6-12-17)21-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,22,24)
InChIKey DNLRMUJTIBZTJJ-UHFFFAOYSA-N
Mol Weight 337.49 g/mol
Molecular Formula C20H23N3S
Exact Mass 337.161269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6MXajGhniFV
Name (NE)-N-[anilino(phenyl)methylene]azepane-1-carbothioamide
CAS Registry Number 114171-17-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3S
InChI InChI=1S/C20H23N3S/c24-20(23-15-9-1-2-10-16-23)22-19(17-11-5-3-6-12-17)21-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,22,24)
InChIKey DNLRMUJTIBZTJJ-UHFFFAOYSA-N
Molecular Weight 337.485 g/mol
SMILES N(C(N1CCCCCC1)=S)\C(=N\c1ccccc1)c1ccccc1
SPLASH splash10-001i-0902000000-3a8afda81ef509f79a3f
Source of Spectrum KC-1987-2313-10
Synonyms (NE)-N-[anilino(phenyl)methylidene]-1-azepanecarbothioamide (NE)-N-[anilino(phenyl)methylidene]azepane-1-carbothioamide (NE)-N-[phenyl(phenylazanyl)methylidene]azepane-1-carbothioamide
Wiley ID 1333199