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2-Pentanone, 3-(phenylmethyl)-3-(phenylthio)-
SpectraBase Compound ID 8PDvVPTTumN
InChI InChI=1S/C18H20OS/c1-3-18(15(2)19,14-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3
InChIKey HTCLPZVWLPXUFS-UHFFFAOYSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3IN1YGfvkG
Name 2-Pentanone, 3-(phenylmethyl)-3-(phenylthio)-
Alternate Name(s) 3-Benzyl-3-(phenylsulfanyl)-2-pentanone 3-Phenylmethyl-3-phenylthiopentan-2-one
CAS Registry Number 71221-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-3-18(15(2)19,14-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3
InChIKey HTCLPZVWLPXUFS-UHFFFAOYSA-N
Molecular Weight 284.417 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)(Cc1ccccc1)CC
SPLASH splash10-01ox-0690000000-777ae3aa719c977afe70
Source of Spectrum KC-1979-1085-0
Wiley ID 1288212