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4-Pentenoic acid, 2-methyl-, 4-methyl-2-pentyl ester

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

4-Pentenoic acid, 2-methyl-, 4-methyl-2-pentyl ester
SpectraBase Compound ID AMjacc7tfDR
InChI InChI=1S/C12H22O2/c1-6-7-10(4)12(13)14-11(5)8-9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKey PWISOICVELVVDM-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9fw2zldkCpr
Name 4-Pentenoic acid, 2-methyl-, 4-methyl-2-pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-6-7-10(4)12(13)14-11(5)8-9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKey PWISOICVELVVDM-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES C(C(C(OC(CC(C)C)C)=O)C)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977883