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2-Methyl-2-(phenylsulfanyl)propanal
SpectraBase Compound ID azeWaX4SKf
InChI InChI=1S/C10H12OS/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey SZJAXFYFRGJCCV-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5v5VIrvo5S
Name 2-Methyl-2-(phenylsulfanyl)propanal
CAS Registry Number 63996-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey SZJAXFYFRGJCCV-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(Sc1ccccc1)(C=O)(C)C
SPLASH splash10-0udi-0900000000-baa10b7cd7cb01249bd8
Source of Spectrum KC-0-538-11
Synonyms 2-Methyl-2-(phenylthio)propanal 2-Methyl-2-(phenylthio)propionaldehyde 2-Methyl-2-phenylsulfanylpropanal
Wiley ID 830041