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Propanedioic acid, (tetramethylcyclopropylidene)-, diethyl ester

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Propanedioic acid, (tetramethylcyclopropylidene)-, diethyl ester
SpectraBase Compound ID 12iBnUpHoB5
InChI InChI=1S/C14H22O4/c1-7-17-11(15)9(12(16)18-8-2)10-13(3,4)14(10,5)6/h7-8H2,1-6H3
InChIKey KHUYVCYQPZOTNB-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GEiPb94x2lA
Name Propanedioic acid, (tetramethylcyclopropylidene)-, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-7-17-11(15)9(12(16)18-8-2)10-13(3,4)14(10,5)6/h7-8H2,1-6H3
InChIKey KHUYVCYQPZOTNB-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C1(C(C)(C)C1(C)C)=C(C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980496