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Propanedioic acid, bicyclo[4.1.0]hept-5-en-1-yl-, diethyl ester
SpectraBase Compound ID 5zPtRjB2V8T
InChI InChI=1S/C14H20O4/c1-3-17-13(15)12(14(16)18-4-2)10-7-5-6-9-8-11(9)10/h6,10-12H,3-5,7-8H2,1-2H3
InChIKey IOPXJDFTBGILFC-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzDKnBPv1Br
Name Propanedioic acid, bicyclo[4.1.0]hept-5-en-1-yl-, diethyl ester
Alternate Name(s) Diethyl 2-bicyclo[4.1.0]hept-5-en-2-ylmalonate Diethyl bicyclo[4.1.0]heptene-5-ylmalonate
CAS Registry Number 81652-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-3-17-13(15)12(14(16)18-4-2)10-7-5-6-9-8-11(9)10/h6,10-12H,3-5,7-8H2,1-2H3
InChIKey IOPXJDFTBGILFC-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES C12C(=CCCC2C(C(=O)OCC)C(=O)OCC)C1
SPLASH splash10-004i-6900000000-81ebac60349a1a865a4a
Source of Spectrum F-37-3691-0
Wiley ID 1255555