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5-(1-Methyltetrazol-5-yl)sulfanylpentan-2-one
SpectraBase Compound ID 4Hn0jWX2qIx
InChI InChI=1S/C7H12N4OS/c1-6(12)4-3-5-13-7-8-9-10-11(7)2/h3-5H2,1-2H3
InChIKey DFERYYZDZWOWIX-UHFFFAOYSA-N
Mol Weight 200.26 g/mol
Molecular Formula C7H12N4OS
Exact Mass 200.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IHoRrmMBa
Name 5-(1-Methyltetrazol-5-yl)sulfanylpentan-2-one
Alternate Name(s) 5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentan-2-one 5-[(1-methyl-5-tetrazolyl)thio]-2-pentanone 5-[(1-methyltetrazol-5-yl)thio]pentan-2-one
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Formula C7H12N4OS
InChI InChI=1S/C7H12N4OS/c1-6(12)4-3-5-13-7-8-9-10-11(7)2/h3-5H2,1-2H3
InChIKey DFERYYZDZWOWIX-UHFFFAOYSA-N
Molecular Weight 200.260 g/mol
SMILES c1([n](nnn1)C)SCCCC(=O)C
SPLASH splash10-0002-9200000000-845008f2ed79a5584995
Source of Spectrum E1-37-961-8
Wiley ID 1517653