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(R)-1-(p-Tolylsulfinyl)-3-pentyn-2-one
SpectraBase Compound ID 8WylJEKfU58
InChI InChI=1S/C12H12O2S/c1-3-4-11(13)9-15(14)12-7-5-10(2)6-8-12/h5-8H,9H2,1-2H3
InChIKey PHCTXXXBGLNTEU-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVnHRI3WreG
Name (R)-1-(p-Tolylsulfinyl)-3-pentyn-2-one
Alternate Name(s) 1-[(4-methylphenyl)sulfinyl]-3-pentyn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-3-4-11(13)9-15(14)12-7-5-10(2)6-8-12/h5-8H,9H2,1-2H3
InChIKey PHCTXXXBGLNTEU-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES C([S@](c1ccc(cc1)C)=O)C(C#CC)=O
SPLASH splash10-000i-3940000000-b08cf6937e954dcecfe5
Source of Spectrum QC-10-951-2
Wiley ID 871164