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1-(2-Thienyl)-1-tridecanone
SpectraBase Compound ID 15U9CHSsrOb
InChI InChI=1S/C17H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
InChIKey QLQIOYAYIHWXBW-UHFFFAOYSA-N
Mol Weight 280.47 g/mol
Molecular Formula C17H28OS
Exact Mass 280.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpUyUWe2SzV
Name 1-(2-Thienyl)-1-tridecanone
CAS Registry Number 59797-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28OS
InChI InChI=1S/C17H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
InChIKey QLQIOYAYIHWXBW-UHFFFAOYSA-N
Molecular Weight 280.470 g/mol
SMILES CCCCCCCCCCCCC(c1cccs1)=O
SPLASH splash10-004i-4900000000-125759cb77b58d617abb
Source of Spectrum W5-0-0-0
Synonyms 1-(2-Thienyl)tridecan-1-one 1-Thiophen-2-yl-1-tridecanone 1-Thiophen-2-yltridecan-1-one 1-Tridecanone, 1-(2-thienyl)-
Wiley ID 1284152