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

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

Carbonic acid, but-3-en-1-yl heptadecyl ester
SpectraBase Compound ID KpywIVtGjCC
InChI InChI=1S/C22H42O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h4H,2-3,5-21H2,1H3
InChIKey IZKMGIHXJFVCKF-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C22H42O3
Exact Mass 354.313395 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D0EacQdyMi0
Name Carbonic acid, but-3-en-1-yl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.313395209 u
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h4H,2-3,5-21H2,1H3
InChIKey IZKMGIHXJFVCKF-UHFFFAOYSA-N
Molecular Weight 354.575 g/mol
SMILES C(OCCCCCCCCCCCCCCCCC)(=O)OCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872957