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

*Links on SpectraBase are not permalinks.

Pentanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester

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

Pentanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
SpectraBase Compound ID J4AjryEMa1W
InChI InChI=1S/C15H26O2/c1-5-6-7-12(16)17-13-14(2,3)11-8-9-15(13,4)10-11/h11,13H,5-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey ZNDQBRJIQWIGOF-KYOSRNDESA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 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 eK9j9QjpHu
Name Pentanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-5-6-7-12(16)17-13-14(2,3)11-8-9-15(13,4)10-11/h11,13H,5-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey ZNDQBRJIQWIGOF-KYOSRNDESA-N
Molecular Weight 238.371 g/mol
SMILES [C@]12(C)[C@](OC(CCCC)=O)(C(C)(C)[C@@](C2)(CC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991279