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

*Links on SpectraBase are not permalinks.
7-(1-(4-Bromophenyl)vinyl)-3-(p-tolyl)-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
SpectraBase Compound ID 9LpqWqj3yFy
InChI InChI=1S/C27H25BrN4O2S/c1-18-4-8-22(9-5-18)27-26-17-31(35(33,34)24-14-6-19(2)7-15-24)16-25(32(26)30-29-27)20(3)21-10-12-23(28)13-11-21/h4-15,25H,3,16-17H2,1-2H3
InChIKey KGCHOVPPYVDEBD-UHFFFAOYSA-N
Mol Weight 549.49 g/mol
Molecular Formula C27H25BrN4O2S
Exact Mass 548.08816 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 3vnuIypjcKF
Name 7-(1-(4-Bromophenyl)vinyl)-3-(p-tolyl)-5-tosyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine
Appearance Solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25BrN4O2S
InChI InChI=1S/C27H25BrN4O2S/c1-18-4-8-22(9-5-18)27-26-17-31(35(33,34)24-14-6-19(2)7-15-24)16-25(32(26)30-29-27)20(3)21-10-12-23(28)13-11-21/h4-15,25H,3,16-17H2,1-2H3
InChIKey KGCHOVPPYVDEBD-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901284
Molecular Weight 549.487 g/mol
SMILES c1(S(N2Cc3[n](C(C2)C(=C)c2ccc(cc2)Br)nnc3-c2ccc(cc2)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum ASC-362-639-5bf
Wiley ID 1838200