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3-Cyclopentylpropionic acid, oct-3-en-2-yl ester

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

3-Cyclopentylpropionic acid, oct-3-en-2-yl ester
SpectraBase Compound ID CQ5cTJX6JGY
InChI InChI=1S/C16H28O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3/b9-6+
InChIKey RVRMKAKPHWJDJO-RMKNXTFCSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HltsIf7kFds
Name 3-Cyclopentylpropionic acid, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3/b9-6+
InChIKey RVRMKAKPHWJDJO-RMKNXTFCSA-N
Molecular Weight 252.398 g/mol
SMILES C(=O)(OC(\C=C\CCCC)C)CCC1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952682