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Cyclohexanone, 2,6-dimethyl-2-(methylthio)-, trans-
SpectraBase Compound ID 8eEBiPZw78
InChI InChI=1S/C9H16OS/c1-7-5-4-6-9(2,11-3)8(7)10/h7H,4-6H2,1-3H3
InChIKey NEAFWGKXOTZULN-UHFFFAOYSA-N
Mol Weight 172.29 g/mol
Molecular Formula C9H16OS
Exact Mass 172.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcLoZBeVw5I
Name Cyclohexanone, 2,6-dimethyl-2-(methylthio)-, trans-
CAS Registry Number 60774-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16OS
InChI InChI=1S/C9H16OS/c1-7-5-4-6-9(2,11-3)8(7)10/h7H,4-6H2,1-3H3
InChIKey NEAFWGKXOTZULN-UHFFFAOYSA-N
Molecular Weight 172.286 g/mol
SMILES C1(C(SC)(CCCC1C)C)=O
SPLASH splash10-054k-9500000000-f6de45d2f07a0343d72a
Source of Spectrum C-98-4898-0
Synonyms 2,6-Dimethyl-2-(methylsulfanyl)cyclohexanone 2,6-Dimethyl-2-methylthiocyclohexanone
Wiley ID 1168652