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

*Links on SpectraBase are not permalinks.
4-([1-(3-Chlorophenyl)-1H-tetraazol-5-yl]sulfanyl)butanenitrile
SpectraBase Compound ID ALUYNbt3vur
InChI InChI=1S/C11H10ClN5S/c12-9-4-3-5-10(8-9)17-11(14-15-16-17)18-7-2-1-6-13/h3-5,8H,1-2,7H2
InChIKey ZILUYGXUDZKKQF-UHFFFAOYSA-N
Mol Weight 279.75 g/mol
Molecular Formula C11H10ClN5S
Exact Mass 279.034544 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 6LCyGsxgktZ
Name 4-([1-(3-Chlorophenyl)-1H-tetraazol-5-yl]sulfanyl)butanenitrile
CAS Registry Number 333415-32-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClN5S
InChI InChI=1S/C11H10ClN5S/c12-9-4-3-5-10(8-9)17-11(14-15-16-17)18-7-2-1-6-13/h3-5,8H,1-2,7H2
InChIKey ZILUYGXUDZKKQF-UHFFFAOYSA-N
Molecular Weight 279.749 g/mol
SMILES C(CC#N)CSc1[n](nnn1)-c1cc(Cl)ccc1
SPLASH splash10-0udi-6920000000-620c029070f0e0bb9706
Synonyms 4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile 4-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylbutanenitrile 4-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile 4-[[1-(3-chlorophenyl)-5-tetrazolyl]thio]butanenitrile 4-[[1-(3-chlorophenyl)tetrazol-5-yl]thio]butyronitrile
Wiley ID 1458222