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1-Acetyl-1-(2-thienyl)cyclohexan-2-one
SpectraBase Compound ID DTEB7pKShkL
InChI InChI=1S/C12H14O2S/c1-9(13)12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8H,2-3,5,7H2,1H3/t12-/m0/s1
InChIKey NJMGYQFLMMOQLF-LBPRGKRZSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHZHSh3egQp
Name 1-Acetyl-1-(2-thienyl)cyclohexan-2-one
Alternate Name(s) (S)-2-Acetyl-2-thiophen-2-yl-cyclohexanone 2-Acetyl-2-(2-thienyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-9(13)12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8H,2-3,5,7H2,1H3/t12-/m0/s1
InChIKey NJMGYQFLMMOQLF-LBPRGKRZSA-N
Molecular Weight 222.302 g/mol
SMILES [C@@]1(c2sccc2)(C(=O)CCCC1)C(=O)C
SPLASH splash10-001i-2900000000-5022cbc718d74b000091
Source of Spectrum SO-0-2387-8
Wiley ID 878991