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Methyl 5-hydroxy-5-phenyl-3-(phenylthio)pent-2-enoate (E)
SpectraBase Compound ID KSgNEVfGNnO
InChI InChI=1S/C18H18O3S/c1-21-18(20)13-16(22-15-10-6-3-7-11-15)12-17(19)14-8-4-2-5-9-14/h2-11,13,17,19H,12H2,1H3/b16-13+
InChIKey AGEWBFWOGSWIGS-DTQAZKPQSA-N
Mol Weight 314.4 g/mol
Molecular Formula C18H18O3S
Exact Mass 314.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LWDUBNCpH0
Name Methyl 5-hydroxy-5-phenyl-3-(phenylthio)pent-2-enoate (E)
CAS Registry Number 102736-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c1-21-18(20)13-16(22-15-10-6-3-7-11-15)12-17(19)14-8-4-2-5-9-14/h2-11,13,17,19H,12H2,1H3/b16-13+
InChIKey AGEWBFWOGSWIGS-DTQAZKPQSA-N
Molecular Weight 314.399 g/mol
SMILES OC(C\C(=C/C(=O)OC)Sc1ccccc1)c1ccccc1
SPLASH splash10-054k-0960000000-6fed151763cd326e2685
Source of Spectrum J-51-3015-0
Synonyms Methyl (2E)-5-hydroxy-5-phenyl-3-(phenylsulfanyl)-2-pentenoate
Wiley ID 1315067