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4-Carbomethoxy-3-methoxy-4-(1'-oxa-3'-butenyl)-2,5-cyclohexadien-1-one
SpectraBase Compound ID 5GLLNA2GXcB
InChI InChI=1S/C12H14O5/c1-4-7-17-12(11(14)16-3)6-5-9(13)8-10(12)15-2/h4-6,8H,1,7H2,2-3H3
InChIKey GOHCVYYZCFMPQS-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aNYLlE7KZ1
Name 4-Carbomethoxy-3-methoxy-4-(1'-oxa-3'-butenyl)-2,5-cyclohexadien-1-one
Alternate Name(s) Methyl 1-(allyloxy)-2-methoxy-4-oxo-2,5-cyclohexadiene-1-carboxylate
CAS Registry Number 136213-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-4-7-17-12(11(14)16-3)6-5-9(13)8-10(12)15-2/h4-6,8H,1,7H2,2-3H3
InChIKey GOHCVYYZCFMPQS-UHFFFAOYSA-N
Molecular Weight 238.239 g/mol
SMILES C1(C(=CC(C=C1)=O)OC)(C(=O)OC)OCC=C
SPLASH splash10-000i-0290000000-e93f00e804025f06933d
Source of Spectrum J-56-6394-9
Wiley ID 1240290