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3-phenyl-1-propanethiol

View entire compound with spectra: 5 NMR, 4 FTIR, and 2 MS (GC)

3-phenyl-1-propanethiol
SpectraBase Compound ID 7Lzd1yMHOpz
InChI InChI=1S/C9H12S/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey IUSDGVJFDZRIBR-UHFFFAOYSA-N
Mol Weight 152.25 g/mol
Molecular Formula C9H12S
Exact Mass 152.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVVg3k7pbVU
Name 3-Phenylpropyl mercaptan
Alternate Name(s) .gamma.-Phenylpropyl mercaptan 3-Phenylpropane-1-thiol 1-Propanethiol, 3-phenyl- 3-Phenyl-1-propanethiol 3-Phenylpropanethiol 3-Phenylpropylthiol Phenyl propyl mercaptan Benzenepropanethiol EINECS 246-440-9
CAS Registry Number 24734-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12S
InChI InChI=1S/C9H12S/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey IUSDGVJFDZRIBR-UHFFFAOYSA-N
Molecular Weight 152.255 g/mol
SMILES SCCCc1ccccc1
SPLASH splash10-014l-7900000000-6cb273644944296020e4
Source of Spectrum JX-2015-6-5992
Wiley ID 1729285