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2-(2-Cyclopropylideneethyl)malonic acid diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-(2-Cyclopropylideneethyl)malonic acid diethyl ester
SpectraBase Compound ID CCqhSyQRrvF
InChI InChI=1S/C12H18O4/c1-3-15-11(13)10(12(14)16-4-2)8-7-9-5-6-9/h7,10H,3-6,8H2,1-2H3
InChIKey NRGFCSYWWFDSBR-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6VfonJUWNiC
Name 2-(2-Cyclopropylideneethyl)malonic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-11(13)10(12(14)16-4-2)8-7-9-5-6-9/h7,10H,3-6,8H2,1-2H3
InChIKey NRGFCSYWWFDSBR-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CC=C1CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985291