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2-Butyl-1,1-cyclopropanedicarboxylic acid, diethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-Butyl-1,1-cyclopropanedicarboxylic acid, diethyl ester
SpectraBase Compound ID CbUOCM0kIeE
InChI InChI=1S/C13H22O4/c1-4-7-8-10-9-13(10,11(14)16-5-2)12(15)17-6-3/h10H,4-9H2,1-3H3
InChIKey CTFBTZISAUIDPO-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7RsXdIlfu3q
Name 2-Butyl-1,1-cyclopropanedicarboxylic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.151809184 u
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-7-8-10-9-13(10,11(14)16-5-2)12(15)17-6-3/h10H,4-9H2,1-3H3
InChIKey CTFBTZISAUIDPO-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C1C(C1(C(OCC)=O)C(OCC)=O)CCCC
Spectrum/Structure Validation Score (Raman) 0.977204