| SpectraBase Spectrum ID |
IpBm62yRMvo |
| Name |
Succinic acid, tridec-2-yn-1-yl trans-hex-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.277009700 u |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h6,8H,3-5,7,9-14,16,18-21H2,1-2H3/b8-6+ |
| InChIKey |
HZWRTEIZCVZLLG-SOFGYWHQSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C(CC(OCC#CCCCCCCCCCC)=O)C(OCC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825176 |
