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Bicyclo[4.1.0]heptane-7,7-dicarboxylic acid, 2-oxo-, diethyl ester
SpectraBase Compound ID 45dF8ika9jX
InChI InChI=1S/C13H18O5/c1-3-17-11(15)13(12(16)18-4-2)8-6-5-7-9(14)10(8)13/h8,10H,3-7H2,1-2H3
InChIKey NWJKJQVMFGAYRA-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PeOBDvCOMH
Name Bicyclo[4.1.0]heptane-7,7-dicarboxylic acid, 2-oxo-, diethyl ester
CAS Registry Number 125117-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-3-17-11(15)13(12(16)18-4-2)8-6-5-7-9(14)10(8)13/h8,10H,3-7H2,1-2H3
InChIKey NWJKJQVMFGAYRA-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES C1(C2C(=O)CCCC12)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0r30-0940000000-391df332947702e9b11c
Source of Spectrum F-45-3017-7
Synonyms 7,7-Diethoxycarbonyl-bicyclo[4.1.0]heptan-2-one Bicyclo[4.1.0]-7,7-dicarboethoxyheptan-2-one Diethyl 2-oxobicyclo[4.1.0]heptane-7,7-dicarboxylate
Wiley ID 1257507