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

*Links on SpectraBase are not permalinks.
acetamide, 2-[[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]thio]-N-(3,4-difluorophenyl)-
SpectraBase Compound ID 4Tmsn6YA6T2
InChI InChI=1S/C16H11F2N5O3S/c17-11-3-1-9(5-12(11)18)19-15(24)7-27-16-20-21-22-23(16)10-2-4-13-14(6-10)26-8-25-13/h1-6H,7-8H2,(H,19,24)
InChIKey IIKWXCJFDZMGNN-UHFFFAOYSA-N
Mol Weight 391.35 g/mol
Molecular Formula C16H11F2N5O3S
Exact Mass 391.055067 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 HoZCXQkuRyD
Name 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F2N5O3S
InChI InChI=1S/C16H11F2N5O3S/c17-11-3-1-9(5-12(11)18)19-15(24)7-27-16-20-21-22-23(16)10-2-4-13-14(6-10)26-8-25-13/h1-6H,7-8H2,(H,19,24)
InChIKey IIKWXCJFDZMGNN-UHFFFAOYSA-N
Molecular Weight 391.353 g/mol
SMILES N(C(CSc1[n](nnn1)-c1cc2OCOc2cc1)=O)c1cc(F)c(cc1)F
SPLASH splash10-03di-2900000000-748a9b7d97e1948f3e86
Synonyms 2-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-[3,4-bis(fluoranyl)phenyl]ethanamide 2-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]-N-(3,4-difluorophenyl)acetamide 2-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]-N-(3,4-difluorophenyl)acetamide
Wiley ID 1452862