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3-Chlorobenzylthiol
SpectraBase Compound ID 7ZjBqIldk4W
InChI InChI=1S/C7H7ClS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey KDLSTBYZKATUIM-UHFFFAOYSA-N
Mol Weight 158.65 g/mol
Molecular Formula C7H7ClS
Exact Mass 157.995699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3FGlb0XRUb
Name 3-Chlorobenzylthiol
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7ClS
InChI InChI=1S/C7H7ClS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey KDLSTBYZKATUIM-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973i
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.117
Molecular Weight 158.646 g/mol
Reported Formula C7H7ClS
SMILES SCc1cc(Cl)ccc1
SPLASH splash10-004i-2900000000-e83b18ec9ab3d03c428b
Source of Spectrum BJO-13-1187-11
Wiley ID 1848183