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5-[(Ethoxycarbonyl)(phenylthio)methyl]-4-methoxy-6-methyl-2H-pyran-2-one
SpectraBase Compound ID J25NlcOiR5U
InChI InChI=1S/C17H18O5S/c1-4-21-17(19)16(23-12-8-6-5-7-9-12)15-11(2)22-14(18)10-13(15)20-3/h5-10,16H,4H2,1-3H3
InChIKey SSUIBOMAHALNGI-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C17H18O5S
Exact Mass 334.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66S0gEJho38
Name 5-[(Ethoxycarbonyl)(phenylthio)methyl]-4-methoxy-6-methyl-2H-pyran-2-one
Alternate Name(s) Ethyl 2-(4-methoxy-6-methyl-2-oxo-2H-pyran-5-yl)-2-(phenylthio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5S
InChI InChI=1S/C17H18O5S/c1-4-21-17(19)16(23-12-8-6-5-7-9-12)15-11(2)22-14(18)10-13(15)20-3/h5-10,16H,4H2,1-3H3
InChIKey SSUIBOMAHALNGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19871200819
Molecular Weight 334.386 g/mol
SMILES C=1(C(=CC(OC1C)=O)OC)C(Sc1ccccc1)C(=O)OCC
SPLASH splash10-004i-1971000000-f313cb1593e78ce4a9f7
Source of Spectrum K-120-1416-6a
Wiley ID 1792987