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Carbonic acid, allyl hexadecyl ester

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

Carbonic acid, allyl hexadecyl ester
SpectraBase Compound ID g2Y5ufqVVY
InChI InChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-4-2/h4H,2-3,5-19H2,1H3
InChIKey XGFSDMQEHKKTGD-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C20H38O3
Exact Mass 326.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IdXqBD4te1P
Name Carbonic acid, allyl hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.282095081 u
Formula C20H38O3
InChI InChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-4-2/h4H,2-3,5-19H2,1H3
InChIKey XGFSDMQEHKKTGD-UHFFFAOYSA-N
Molecular Weight 326.521 g/mol
SMILES C=CCOC(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887316