| SpectraBase Spectrum ID |
2O6Gx38hHsq |
| Name |
Succinic acid, hex-4-yn-3-yl 1-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.167459249 u |
| Formula |
C19H24O4 |
| InChI |
InChI=1S/C19H24O4/c1-4-10-16(5-2)22-18(20)13-14-19(21)23-17(6-3)15-11-8-7-9-12-15/h7-9,11-12,16-17H,5-6,13-14H2,1-3H3 |
| InChIKey |
NRJSAWAWRSPXOV-UHFFFAOYSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OC(CC)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843701 |
