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

*Links on SpectraBase are not permalinks.

Carbonic acid, butyl heptadecyl ester

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

Carbonic acid, butyl heptadecyl ester
SpectraBase Compound ID 7lom53qIywf
InChI InChI=1S/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h3-21H2,1-2H3
InChIKey TWTHEFNFMYRNFM-UHFFFAOYSA-N
Mol Weight 356.6 g/mol
Molecular Formula C22H44O3
Exact Mass 356.329045 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 6jOvJf4tJPm
Name Carbonic acid, butyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.329045274 u
Formula C22H44O3
InChI InChI=1S/C22H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h3-21H2,1-2H3
InChIKey TWTHEFNFMYRNFM-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES CCCCOC(OCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909128