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(1'RS,2'E,3RS,RsSs) [1'-methyl-3'-(phenylsulfinyl)prop-2'-enyl]butan-4-olide
SpectraBase Compound ID CJRl7KzBr1f
InChI InChI=1S/C14H16O3S/c1-11(13-7-9-17-14(13)15)8-10-18(16)12-5-3-2-4-6-12/h2-6,8,10-11,13H,7,9H2,1H3/b10-8+
InChIKey QVPVMWVCRHWTIE-CSKARUKUSA-N
Mol Weight 264.34 g/mol
Molecular Formula C14H16O3S
Exact Mass 264.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3JsnO89Cit
Name (1'RS,2'E,3RS,RsSs) [1'-methyl-3'-(phenylsulfinyl)prop-2'-enyl]butan-4-olide
Alternate Name(s) 3-[(2E)-1-methyl-3-(phenylsulfinyl)-2-propenyl]dihydro-2(3H)-furanone
CAS Registry Number 114678-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3S
InChI InChI=1S/C14H16O3S/c1-11(13-7-9-17-14(13)15)8-10-18(16)12-5-3-2-4-6-12/h2-6,8,10-11,13H,7,9H2,1H3/b10-8+
InChIKey QVPVMWVCRHWTIE-CSKARUKUSA-N
Molecular Weight 264.339 g/mol
SMILES C(\C=C\S(=O)c1ccccc1)(C1C(OCC1)=O)C
SPLASH splash10-053r-0910000000-fb883a619e727ed21630
Source of Spectrum C-110-5419-33
Wiley ID 1267747