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Carbonic acid, isobutyl pentadecyl ester

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

Carbonic acid, isobutyl pentadecyl ester
SpectraBase Compound ID 956OhTQzdNt
InChI InChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(21)23-18-19(2)3/h19H,4-18H2,1-3H3
InChIKey XUDZKDKSJJYDEB-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C20H40O3
Exact Mass 328.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4O4QYkukKza
Name Carbonic acid, isobutyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.297745145 u
Formula C20H40O3
InChI InChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(21)23-18-19(2)3/h19H,4-18H2,1-3H3
InChIKey XUDZKDKSJJYDEB-UHFFFAOYSA-N
Molecular Weight 328.537 g/mol
SMILES CC(COC(OCCCCCCCCCCCCCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834305