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1-[(R)-(4-methylphenyl)sulfinyl]-3-heptyn-2-one
SpectraBase Compound ID 9JWWZlo6IyJ
InChI InChI=1S/C14H16O2S/c1-3-4-5-6-13(15)11-17(16)14-9-7-12(2)8-10-14/h7-10H,3-4,11H2,1-2H3
InChIKey SPJZQHLBHLWMCO-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LR9fN1tUBdA
Name 1-[(R)-(4-methylphenyl)sulfinyl]-3-heptyn-2-one
Alternate Name(s) 1-[(R)-(4-methylphenyl)sulfinyl]hept-3-yn-2-one 1-[(R)-p-tolylsulfinyl]hept-3-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-3-4-5-6-13(15)11-17(16)14-9-7-12(2)8-10-14/h7-10H,3-4,11H2,1-2H3
InChIKey SPJZQHLBHLWMCO-UHFFFAOYSA-N
Molecular Weight 248.340 g/mol
SMILES C([S@](c1ccc(cc1)C)=O)C(C#CCCC)=O
SPLASH splash10-000i-0900000000-8ec55413d86d6589fef7
Source of Spectrum QC-10-951-2
Wiley ID 871163