For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 FTIR

2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID 3Y5sT21da9r
InChI InChI=1S/C14H24O2/c1-7-8-9-12(10-11(2)3)16-13(15)14(4,5)6/h11-12H,7,10H2,1-6H3
InChIKey CPFVDMGMVWCYGU-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3S5xCZUHIFz
Name 2,2-Dimethylpropanoic 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 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-7-8-9-12(10-11(2)3)16-13(15)14(4,5)6/h11-12H,7,10H2,1-6H3
InChIKey CPFVDMGMVWCYGU-UHFFFAOYSA-N
Molecular Weight 224.344 g/mol
SMILES C(C(=O)OC(CC(C)C)C#CCC)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908797