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1-Phenylthio-3-hexanol acetate
SpectraBase Compound ID 3t6wXDLnjR0
InChI InChI=1S/C14H20O2S/c1-3-7-13(16-12(2)15)10-11-17-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKey GATROHWRROVOEN-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMr8hFTFpPT
Name 1-Phenylthio-3-hexanol acetate
Alternate Name(s) 1-[2-(phenylsulfanyl)ethyl]butyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-3-7-13(16-12(2)15)10-11-17-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKey GATROHWRROVOEN-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C(=O)(OC(CCSc1ccccc1)CCC)C
SPLASH splash10-0bu0-9820000000-4f08c6f47ce7ac47e37e
Source of Spectrum AJ-69-2103-10
Wiley ID 773847