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4-Pentenoic acid, isopentyl ester

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

4-Pentenoic acid, isopentyl ester
SpectraBase Compound ID 4X7kDsiw59E
InChI InChI=1S/C10H18O2/c1-4-5-6-10(11)12-8-7-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKey ZQWYFZUFXOBFOF-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CX15haqyvSk
Name 4-Pentenoic acid, 3-methylbutyl ester; 4-pentenoic acid, isopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-4-5-6-10(11)12-8-7-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKey ZQWYFZUFXOBFOF-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES C(CCC=C)(OCCC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.966554