| SpectraBase Spectrum ID |
8gHulgD1Ll9 |
| Name |
Succinic acid, di(2-methyloct-5-yn-4-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-7-9-11-19(15-17(3)4)25-21(23)13-14-22(24)26-20(12-10-8-2)16-18(5)6/h17-20H,7-8,13-16H2,1-6H3 |
| InChIKey |
OJJLYZOWTLWIFX-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(CC(OC(C#CCC)CC(C)C)=O)C(OC(CC(C)C)C#CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822519 |
