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

*Links on SpectraBase are not permalinks.
Thiazolo[3,2-d]thieno[2,3-f][1,4]thiazepinium, 5,6-dihydro-8-hydroxy-9-phenyl-, hydroxide, inner salt
SpectraBase Compound ID 1EJHFhlBvib
InChI InChI=1S/C15H11NOS3/c17-14-12(10-4-2-1-3-5-10)20-15-13-11(6-8-19-13)18-9-7-16(14)15/h1-6,8H,7,9H2
InChIKey NBLXNQSIQHYPIF-UHFFFAOYSA-N
Mol Weight 317.44 g/mol
Molecular Formula C15H11NOS3
Exact Mass 317.000277 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 4tNWm8sUfs
Name Thiazolo[3,2-d]thieno[2,3-f][1,4]thiazepinium, 5,6-dihydro-8-hydroxy-9-phenyl-, hydroxide, inner salt
CAS Registry Number 104587-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NOS3
InChI InChI=1S/C15H11NOS3/c17-14-12(10-4-2-1-3-5-10)20-15-13-11(6-8-19-13)18-9-7-16(14)15/h1-6,8H,7,9H2
InChIKey NBLXNQSIQHYPIF-UHFFFAOYSA-N
Molecular Weight 317.439 g/mol
SMILES c1-2[n+](CCSc3c2scc3)c(c(s1)-c1ccccc1)[O-]
SPLASH splash10-014i-0709000000-18c197941bddf29a9578
Source of Spectrum H-73-775-3
Synonyms 5,6-Dihydro-9-phenylthiazolo[3,2-d]thieno[2,3-f][1,4]thiazepin-7-ium 8-oxide 9-Phenyl-5H,6H-[1,3]thiazolo[3,2-d]thieno[2,3-f][1,4]thiazepin-7-ium-8-olate
Wiley ID 1317549