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1-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one
SpectraBase Compound ID HLF8hxvMgF7
InChI InChI=1S/C12H20N4OS/c1-16-12(13-14-15-16)18-9-5-8-11(17)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKey UNOJNNGYQJOVAV-UHFFFAOYSA-N
Mol Weight 268.38 g/mol
Molecular Formula C12H20N4OS
Exact Mass 268.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ddn87EFx6se
Name 1-cyclohexyl-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one
Alternate Name(s) 1-cyclohexyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one 1-cyclohexyl-4-[(1-methyl-5-tetrazolyl)thio]-1-butanone 1-cyclohexyl-4-[(1-methyltetrazol-5-yl)thio]butan-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N4OS
InChI InChI=1S/C12H20N4OS/c1-16-12(13-14-15-16)18-9-5-8-11(17)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKey UNOJNNGYQJOVAV-UHFFFAOYSA-N
Molecular Weight 268.379 g/mol
SMILES c1([n](nnn1)C)SCCCC(=O)C1CCCCC1
SPLASH splash10-0006-9010000000-aaa2277695b714080c95
Source of Spectrum E1-37-961-8
Wiley ID 1517652