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1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone
SpectraBase Compound ID E0yXBwESp1
InChI InChI=1S/C13H15N5OS/c1-17-13(14-15-16-17)20-9-12(19)18-7-6-10-4-2-3-5-11(10)8-18/h2-5H,6-9H2,1H3
InChIKey QJBLCFSCBCSNNR-UHFFFAOYSA-N
Mol Weight 289.36 g/mol
Molecular Formula C13H15N5OS
Exact Mass 289.099731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNJyh9gikk6
Name 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N5OS
InChI InChI=1S/C13H15N5OS/c1-17-13(14-15-16-17)20-9-12(19)18-7-6-10-4-2-3-5-11(10)8-18/h2-5H,6-9H2,1H3
InChIKey QJBLCFSCBCSNNR-UHFFFAOYSA-N
Molecular Weight 289.357 g/mol
SMILES c1([n](nnn1)C)SCC(N1Cc2ccccc2CC1)=O
SPLASH splash10-008a-3900000000-849e8851b39ac8f77ad8
Synonyms 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyltetrazol-5-yl)thio]ethanone Ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-
Wiley ID 1442056