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3-(5-Methyl-thiophen-2-yl)-cycloheptanone
SpectraBase Compound ID CN442gt0z29
InChI InChI=1S/C12H16OS/c1-9-6-7-12(14-9)10-4-2-3-5-11(13)8-10/h6-7,10H,2-5,8H2,1H3
InChIKey CIKBYMMLJPWTHU-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PJHZeQVxQZ
Name 3-(5-Methyl-thiophen-2-yl)-cycloheptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-9-6-7-12(14-9)10-4-2-3-5-11(13)8-10/h6-7,10H,2-5,8H2,1H3
InChIKey CIKBYMMLJPWTHU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702302y
Molecular Weight 208.319 g/mol
SMILES c1c(C2CCCCC(C2)=O)sc(c1)C
SPLASH splash10-0pi0-0930000000-92185e31b47d41c43d6e
Source of Spectrum A1-9-5195/SMS10-5b'
Synonyms 3-(5-Methylthiophen-2-yl)cycloheptanone 3-(5-Methyl-2-thiophenyl)-1-cycloheptanone 3-(5-Methylthiophen-2-yl)cycloheptan-1-one
Wiley ID 1758824