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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 1cdAxc5Qhil
Name 1-(Thiophen-2-yl)octan-1-one
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.107836373 u
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
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 210.335 g/mol
Quality 83
SMILES C(=O)(C1=CC=CS1)CCCCCCC
SPLASH splash10-01t9-0900000000-80ca8e8e9954c97a3081
Source of Spectrum QE-27-SM36-2z (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.28 (hexane/EtOAc, 96/4)
Wiley ID 1902324