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1-(1-Methylthio-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)ethanone
SpectraBase Compound ID 1xqMI2biI8A
InChI InChI=1S/C13H17NOS/c1-9(15)12-8-10-6-4-3-5-7-11(10)13(14-12)16-2/h8H,3-7H2,1-2H3
InChIKey CMOJXTYVKOMUBK-UHFFFAOYSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lTZ0Tx3i6M
Name 1-(1-Methylthio-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-9(15)12-8-10-6-4-3-5-7-11(10)13(14-12)16-2/h8H,3-7H2,1-2H3
InChIKey CMOJXTYVKOMUBK-UHFFFAOYSA-N
Molecular Weight 235.345 g/mol
SMILES C(C)(c1cc2c(c(n1)SC)CCCCC2)=O
SPLASH splash10-0fki-1490000000-0b613ab2da31d89bf2b8
Source of Spectrum KC-61-8155-3
Synonyms 1-[1-(methylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl]ethanone
Wiley ID 1630220