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1-(2-Thienyl)-1-octanone
SpectraBase Compound ID 1Ff4WgmwCxU
InChI InChI=1S/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
InChIKey QRJZCQOLJVIBDE-UHFFFAOYSA-N
Mol Weight 210.33 g/mol
Molecular Formula C12H18OS
Exact Mass 210.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DvjyJ6NwDt
Name 1-(2-Thienyl)-1-octanone
CAS Registry Number 30711-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18OS
InChI InChI=1S/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
InChIKey QRJZCQOLJVIBDE-UHFFFAOYSA-N
Molecular Weight 210.335 g/mol
SMILES c1ccc(s1)C(CCCCCCC)=O
SPLASH splash10-01t9-4900000000-efffb9f35b8374ff646c
Source of Spectrum VC-1981-695-0
Synonyms 1-(2-Thienyl)octan-1-one 1-Octanone, 1-(2-thienyl)- 1-Thiophen-2-yl-1-octanone 1-Thiophen-2-yloctan-1-one 2-n-Octanoylthiophene 2-Octanoylthiophene
Wiley ID 1209105