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3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 FTIR

3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID 1G6chM2bNHX
InChI InChI=1S/C17H28O2/c1-4-5-10-16(13-14(2)3)19-17(18)12-11-15-8-6-7-9-15/h14-16H,4,6-9,11-13H2,1-3H3
InChIKey AJIYNFIZBQJLGY-UHFFFAOYSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Wur1EYXEJS
Name 3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.208930140 u
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-4-5-10-16(13-14(2)3)19-17(18)12-11-15-8-6-7-9-15/h14-16H,4,6-9,11-13H2,1-3H3
InChIKey AJIYNFIZBQJLGY-UHFFFAOYSA-N
Molecular Weight 264.409 g/mol
SMILES C(=O)(OC(C#CCC)CC(C)C)CCC1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943007