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

*Links on SpectraBase are not permalinks.
1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-
SpectraBase Compound ID 77dPqukk618
InChI InChI=1S/C12H17NS/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-7,9,13H,8H2,1-3H3
InChIKey URHIRPNXXQDFFA-UHFFFAOYSA-N
Mol Weight 207.33 g/mol
Molecular Formula C12H17NS
Exact Mass 207.108171 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 KwPWnEjGxD4
Name 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2,2,4-trimethyl-
CAS Registry Number 13338-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NS
InChI InChI=1S/C12H17NS/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-7,9,13H,8H2,1-3H3
InChIKey URHIRPNXXQDFFA-UHFFFAOYSA-N
Molecular Weight 207.335 g/mol
SMILES N1C(CC(Sc2ccccc12)(C)C)C
SPLASH splash10-0k9i-5920000000-3d32325bd74a6b060ec5
Source of Spectrum F-28-5578-6
Synonyms 2,2,4-Trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine 2,2,4-trimethyl-4,5-dihydro-3H-1,5-benzothiazepine
Wiley ID 25261