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5-[(2,6-Difluorobenzyl)sulfanyl]-1-methyl-1H-tetraazole
SpectraBase Compound ID 2MDjhGSec2k
InChI InChI=1S/C9H8F2N4S/c1-15-9(12-13-14-15)16-5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3
InChIKey NJUQHCNCNLCKPX-UHFFFAOYSA-N
Mol Weight 242.25 g/mol
Molecular Formula C9H8F2N4S
Exact Mass 242.043774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPUDqen1zWX
Name 5-[(2,6-Difluorobenzyl)sulfanyl]-1-methyl-1H-tetraazole
Alternate Name(s) 5-[(2,6-difluorobenzyl)thio]-1-methyl-tetrazole 5-[(2,6-difluorophenyl)methylsulfanyl]-1-methyl-tetrazole 5-[(2,6-difluorophenyl)methylthio]-1-methyltetrazole 5-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-1-methyl-1,2,3,4-tetrazole Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
CAS Registry Number 311775-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F2N4S
InChI InChI=1S/C9H8F2N4S/c1-15-9(12-13-14-15)16-5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3
InChIKey NJUQHCNCNLCKPX-UHFFFAOYSA-N
Molecular Weight 242.248 g/mol
SMILES c1([n](nnn1)C)SCc1c(F)cccc1F
SPLASH splash10-004i-9800000000-a7390d61ef67d98769d9
Source of Spectrum AD-0-2532-0
Wiley ID 1424067