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

*Links on SpectraBase are not permalinks.
1-Propanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl]-2,2-dimethyl-
SpectraBase Compound ID LbA5ZbBd13l
InChI InChI=1S/C21H28N2O2S/c1-21(2,3)19(24)18-17(15-9-11-16(25-4)12-10-15)22-20(26-18)23-13-7-5-6-8-14-23/h9-12H,5-8,13-14H2,1-4H3
InChIKey MHGYKBDGCMZJDK-UHFFFAOYSA-N
Mol Weight 372.53 g/mol
Molecular Formula C21H28N2O2S
Exact Mass 372.187149 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 KO4KdlI2EFk
Name 1-Propanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl]-2,2-dimethyl-
CAS Registry Number 119476-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O2S
InChI InChI=1S/C21H28N2O2S/c1-21(2,3)19(24)18-17(15-9-11-16(25-4)12-10-15)22-20(26-18)23-13-7-5-6-8-14-23/h9-12H,5-8,13-14H2,1-4H3
InChIKey MHGYKBDGCMZJDK-UHFFFAOYSA-N
Molecular Weight 372.527 g/mol
SMILES c1(c(nc(s1)N1CCCCCC1)-c1ccc(cc1)OC)C(C(C)(C)C)=O
SPLASH splash10-014i-0309000000-dea7741e34f4ad14d7ed
Source of Spectrum KC-1988-2218-4
Synonyms 1-(4-p-methoxyphenyl-5-pivaloylthiazol-2-yl)hexahydroazepine 1-[2-hexahydro-1H-azepin-1-yl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2,2-dimethyl-1-propanone
Wiley ID 1355507