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(E)-2-[(4-methoxy-6-oxo-2-pyranyl)methylthio]-2-butenedioic acid dimethyl ester
SpectraBase Compound ID GHVhUbg0Zqm
InChI InChI=1S/C13H14O7S/c1-17-8-4-9(20-12(15)5-8)7-21-10(13(16)19-3)6-11(14)18-2/h4-6H,7H2,1-3H3/b10-6+
InChIKey CCNWZWDDRUUTDW-UXBLZVDNSA-N
Mol Weight 314.31 g/mol
Molecular Formula C13H14O7S
Exact Mass 314.046024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHq9xGi1wFg
Name (E)-2-[(4-methoxy-6-oxo-2-pyranyl)methylthio]-2-butenedioic acid dimethyl ester
Alternate Name(s) (E)-2-[(6-keto-4-methoxy-pyran-2-yl)methylthio]but-2-enedioic acid dimethyl ester Dimethyl (E)-2-[(4-methoxy-6-oxidanylidene-pyran-2-yl)methylsulfanyl]but-2-enedioate Dimethyl (E)-2-[(4-methoxy-6-oxo-pyran-2-yl)methylsulfanyl]but-2-enedioate
CAS Registry Number 126759-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O7S
InChI InChI=1S/C13H14O7S/c1-17-8-4-9(20-12(15)5-8)7-21-10(13(16)19-3)6-11(14)18-2/h4-6H,7H2,1-3H3/b10-6+
InChIKey CCNWZWDDRUUTDW-UXBLZVDNSA-N
Molecular Weight 314.308 g/mol
SMILES C(\C(=C/C(=O)OC)SCC1=CC(OC)=CC(O1)=O)(=O)OC
SPLASH splash10-004i-5901000000-2659b875a717cd821ebd
Source of Spectrum Y-26-1211-35
Wiley ID 1314662