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1-Heptanone, 1-(2-thienyl)-
SpectraBase Compound ID Kgo9fI6u9wE
InChI InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
InChIKey BDNFJEMAAFFMFH-UHFFFAOYSA-N
Mol Weight 196.31 g/mol
Molecular Formula C11H16OS
Exact Mass 196.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUSmhiyJoXS
Name 1-Heptanone, 1-(2-thienyl)-
CAS Registry Number 30711-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16OS
InChI InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
InChIKey BDNFJEMAAFFMFH-UHFFFAOYSA-N
Molecular Weight 196.308 g/mol
SMILES c1ccc(s1)C(CCCCCC)=O
SPLASH splash10-01t9-1900000000-cdc448da3695dd1371ed
Source of Spectrum VC-1981-694-0
Synonyms 1-(2-Thienyl)-1-heptanone 1-(2-Thienyl)heptan-1-one 1-Thiophen-2-yl-1-heptanone 1-Thiophen-2-ylheptan-1-one 2-(n-Heptanoyl)thiophene
Wiley ID 1193033