| SpectraBase Spectrum ID |
2M7E14d1uk1 |
| Name |
Succinic acid, butyl dodec-9-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-3-5-7-8-9-10-11-12-13-14-18-24-20(22)16-15-19(21)23-17-6-4-2/h3-4,6,8-18H2,1-2H3 |
| InChIKey |
CBBZJNAGNIUZJH-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(C(OCCCCCCCCC#CCC)=O)CC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890873 |
