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

*Links on SpectraBase are not permalinks.
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID 527e6bv1FWm
InChI InChI=1S/C17H14F3N5O3S/c1-27-14-5-3-2-4-13(14)25-16(22-23-24-25)29-10-15(26)21-11-6-8-12(9-7-11)28-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKey LHEKGUJFFQBDML-UHFFFAOYSA-N
Mol Weight 425.39 g/mol
Molecular Formula C17H14F3N5O3S
Exact Mass 425.076945 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 4wYfCROwWLS
Name 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3N5O3S
InChI InChI=1S/C17H14F3N5O3S/c1-27-14-5-3-2-4-13(14)25-16(22-23-24-25)29-10-15(26)21-11-6-8-12(9-7-11)28-17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChIKey LHEKGUJFFQBDML-UHFFFAOYSA-N
Molecular Weight 425.386 g/mol
SMILES N(C(CSc1[n](nnn1)-c1c(OC)cccc1)=O)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0002-6910000000-35685b7b4fcf45c1f247
Synonyms 2-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide 2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide
Wiley ID 1444498