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 |