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

*Links on SpectraBase are not permalinks.
3-Phenyl-7,8,9,10,11,11a-hexahydro-6H-cycloocta[e]-s-triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID BBVCNScOsDn
InChI InChI=1S/C16H18N4S/c1-2-7-11-14-13(10-6-1)19-20-15(17-18-16(20)21-14)12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey GRTNLLLTPMVZDT-UHFFFAOYSA-N
Mol Weight 298.41 g/mol
Molecular Formula C16H18N4S
Exact Mass 298.125218 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 IxRdJwZNhs1
Name 3-Phenyl-7,8,9,10,11,11a-hexahydro-6H-cycloocta[e]-s-triazolo[3,4-b][1,3,4]thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4S
InChI InChI=1S/C16H18N4S/c1-2-7-11-14-13(10-6-1)19-20-15(17-18-16(20)21-14)12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey GRTNLLLTPMVZDT-UHFFFAOYSA-N
Molecular Weight 298.408 g/mol
SMILES c12[n](c(nn2)-c2ccccc2)N=C2C(S1)CCCCCC2
SPLASH splash10-0002-1291000000-a54ceb6cc48096e66163
Source of Spectrum F4-42-2641-7d
Wiley ID 1674433