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Carbonic acid, heptadecyl isobutyl ester

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

Carbonic acid, heptadecyl isobutyl ester
SpectraBase Compound ID rNMTjRILBN
InChI InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)25-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey JUYGQJRFWPAZRE-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

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SpectraBase Spectrum ID G9IX3K8g9fJ
Name Carbonic acid, heptadecyl isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)25-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey JUYGQJRFWPAZRE-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES CC(COC(OCCCCCCCCCCCCCCCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855907