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Carbonic acid, but-2-yn-1-yl heptadecyl ester
SpectraBase Compound ID HUOEffVdYvR
InChI InChI=1S/C22H40O3/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/h3,5,7-21H2,1-2H3
InChIKey FQINAGFWKLGLJC-UHFFFAOYSA-N
Mol Weight 352.6 g/mol
Molecular Formula C22H40O3
Exact Mass 352.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6DN79wWKXW
Name Carbonic acid, but-2-yn-1-yl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.297745145 u
Formula C22H40O3
InChI InChI=1S/C22H40O3/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/h3,5,7-21H2,1-2H3
InChIKey FQINAGFWKLGLJC-UHFFFAOYSA-N
Molecular Weight 352.559 g/mol
SMILES C(CCOC(OCC#CC)=O)CCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829592