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Carbonic acid, isobutyl octadecyl ester

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

Carbonic acid, isobutyl octadecyl ester
SpectraBase Compound ID 5OYFT0cs9qx
InChI InChI=1S/C23H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)26-21-22(2)3/h22H,4-21H2,1-3H3
InChIKey BQTFJBYQKSWKAM-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C23H46O3
Exact Mass 370.344695 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hs0gKpQ4Uc2
Name Carbonic acid, isobutyl octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.344695338 u
Formula C23H46O3
InChI InChI=1S/C23H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)26-21-22(2)3/h22H,4-21H2,1-3H3
InChIKey BQTFJBYQKSWKAM-UHFFFAOYSA-N
Molecular Weight 370.618 g/mol
SMILES CC(COC(OCCCCCCCCCCCCCCCCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849594