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Cyclohexanecarboxaldehyde, 1-(phenylthio)-
SpectraBase Compound ID Hjt81YXkJPn
InChI InChI=1S/C13H16OS/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKey ZLOBOEPMGFLRAL-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NNoloLxVqB
Name Cyclohexanecarboxaldehyde, 1-(phenylthio)-
CAS Registry Number 57768-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKey ZLOBOEPMGFLRAL-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(Sc2ccccc2)(C=O)CCCCC1
SPLASH splash10-001l-4900000000-ff06461cf9cf73968ff0
Source of Spectrum AJ-58-2854-5
Synonyms 1-(Phenylthio)-1-cyclohexanecarboxaldehyde 1-Phenylsulfanylcyclohexanecarbaldehyde 1-Phenylsulfanylcyclohexane-1-carbaldehyde
Wiley ID 1219844