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2,6-Cycloheptadiene-1-propanoic acid, 1-(methoxycarbonyl)-.alpha.-oxo-, methyl ester

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2,6-Cycloheptadiene-1-propanoic acid, 1-(methoxycarbonyl)-.alpha.-oxo-, methyl ester
SpectraBase Compound ID LbW9o08KgeH
InChI InChI=1S/C13H16O5/c1-17-11(15)10(14)9-13(12(16)18-2)7-5-3-4-6-8-13/h5-8H,3-4,9H2,1-2H3
InChIKey FDBXWTOSELMPAI-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PiFUJm7XEu
Name 2,6-Cycloheptadiene-1-propanoic acid, 1-(methoxycarbonyl)-.alpha.-oxo-, methyl ester
Alternate Name(s) 1-Methoxycarbonyl-1-methoxycarbonylcarbonylmethyl-2,6-cycloheptadiene Methyl 1-(3-methoxy-2,3-dioxopropyl)-2,6-cycloheptadiene-1-carboxylate
CAS Registry Number 115651-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-17-11(15)10(14)9-13(12(16)18-2)7-5-3-4-6-8-13/h5-8H,3-4,9H2,1-2H3
InChIKey FDBXWTOSELMPAI-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C1(C(=O)OC)(CC(C(=O)OC)=O)C=CCCC=C1
SPLASH splash10-0536-3900000000-01dda83dc8dc14564d86
Source of Spectrum J-53-4068-5
Wiley ID 1255357