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Cis-3-(ethylthio)-5-methylcyclohexanone
SpectraBase Compound ID TPSej1YzFb
InChI InChI=1S/C9H16OS/c1-3-11-9-5-7(2)4-8(10)6-9/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey ADKUYRGNXXBCPE-VXNVDRBHSA-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 5dk29WnLQT
Name Cis-3-(ethylthio)-5-methylcyclohexanone
CAS Registry Number 97590-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16OS
InChI InChI=1S/C9H16OS/c1-3-11-9-5-7(2)4-8(10)6-9/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey ADKUYRGNXXBCPE-VXNVDRBHSA-N
Molecular Weight 172.286 g/mol
SMILES C1(C[C@](SCC)(C[C@@](C1)(C)[H])[H])=O
SPLASH splash10-02t9-9600000000-47ea84e2ae5ececd1c29
Source of Spectrum J-50-4181-21
Synonyms (3R,5R)-3-(ethylsulfanyl)-5-methylcyclohexanone
Wiley ID 1168656