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Carbonic acid, but-3-en-1-yl hexadecyl ester

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

Carbonic acid, but-3-en-1-yl hexadecyl ester
SpectraBase Compound ID 9OdbfpC9mjy
InChI InChI=1S/C21H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21(22)23-19-6-4-2/h4H,2-3,5-20H2,1H3
InChIKey OTRORGODLHWRCP-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C21H40O3
Exact Mass 340.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HEVwQWQ79Rx
Name Carbonic acid, but-3-en-1-yl hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.297745145 u
Formula C21H40O3
InChI InChI=1S/C21H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21(22)23-19-6-4-2/h4H,2-3,5-20H2,1H3
InChIKey OTRORGODLHWRCP-UHFFFAOYSA-N
Molecular Weight 340.548 g/mol
SMILES C(OCCCCCCCCCCCCCCCC)(=O)OCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89502