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Isopropylidenemalonic acid, diethyl ester
SpectraBase Compound ID CqVWSOiqNUM
InChI InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3
InChIKey WEISAZNMMVPNTH-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9KVTPUCC5Hp
Name Isopropylidenemalonic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.104858991 u
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3
InChIKey WEISAZNMMVPNTH-UHFFFAOYSA-N
Molecular Weight 200.234 g/mol
SMILES CCOC(C(C(OCC)=O)=C(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.98375