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5-(1-Methyltetrazol-5-yl)sulfanyl-1-phenyl-pentan-2-one
SpectraBase Compound ID BaiWeLunfpc
InChI InChI=1S/C13H16N4OS/c1-17-13(14-15-16-17)19-9-5-8-12(18)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey RKYXTELYNYVQNB-UHFFFAOYSA-N
Mol Weight 276.36 g/mol
Molecular Formula C13H16N4OS
Exact Mass 276.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwpx3qGf3yw
Name 5-(1-Methyltetrazol-5-yl)sulfanyl-1-phenyl-pentan-2-one
Alternate Name(s) 5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-pentan-2-one 5-[(1-methyl-5-tetrazolyl)thio]-1-phenyl-2-pentanone 5-[(1-methyltetrazol-5-yl)thio]-1-phenyl-pentan-2-one
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Formula C13H16N4OS
InChI InChI=1S/C13H16N4OS/c1-17-13(14-15-16-17)19-9-5-8-12(18)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey RKYXTELYNYVQNB-UHFFFAOYSA-N
Molecular Weight 276.358 g/mol
SMILES c1([n](nnn1)C)SCCCC(=O)Cc1ccccc1
SPLASH splash10-014l-9200000000-e4f4f845475f11f6f165
Source of Spectrum E1-37-961-8
Wiley ID 1517651