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2-Benzylbenzenethiol
SpectraBase Compound ID GOqBwIHNTmu
InChI InChI=1S/C13H12S/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey QTKHXEAIGWJFPO-UHFFFAOYSA-N
Mol Weight 200.3 g/mol
Molecular Formula C13H12S
Exact Mass 200.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEM8ROWq5ei
Name 2-Benzylbenzenethiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12S
InChI InChI=1S/C13H12S/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey QTKHXEAIGWJFPO-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000356
Molecular Weight 200.299 g/mol
SMILES Sc1c(Cc2ccccc2)cccc1
SPLASH splash10-0v4i-8930000000-e27114f2f2730e53959c
Source of Spectrum ASC-362-SM30-57
Wiley ID 1839227