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Methyl 3-methyl-2-(phenylsulfonyl)-4-pentenoate
SpectraBase Compound ID HOSvbgvGjYd
InChI InChI=1S/C13H16O4S/c1-4-10(2)12(13(14)17-3)18(15,16)11-8-6-5-7-9-11/h4-10,12H,1H2,2-3H3
InChIKey NYFMMZXQRRPREV-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pzRa1DpvJx
Name 4-PENTENOIC ACID, 3-METHYL-2-PHENYLSULFONYL-, METHYL ESTER (DIASTEREOMERES 2)
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Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-4-10(2)12(13(14)17-3)18(15,16)11-8-6-5-7-9-11/h4-10,12H,1H2,2-3H3
InChIKey NYFMMZXQRRPREV-UHFFFAOYSA-N
Molecular Weight 268.0765
SMILES C=CC(C(S(=O)(=O)c1ccccc1)C(OC)=O)C
SPLASH splash10-004i-9100000000-112dd1cb9acbc8590bdd
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