| SpectraBase Spectrum ID |
BFvA8MzGjB2 |
| Name |
Henicosa-6-yn-20-en-1-oic-acid-methylester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.287180462 u |
| Formula |
C22H38O2 |
| InChI |
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3H,1,4-15,18-21H2,2H3 |
| InChIKey |
QLIPXSYUQGWWCO-UHFFFAOYSA-N |
| Molecular Weight |
334.544 g/mol |
| SMILES |
C(=O)(OC)CCCCC#CCCCCCCCCCCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949959 |
