| SpectraBase Spectrum ID |
9eESzonTCqY |
| Name |
Glutaric acid, hex-4-yn-3-yl 3-ethylphenyl 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/c1-4-9-16(6-3)22-18(20)12-8-13-19(21)23-17-11-7-10-15(5-2)14-17/h7,10-11,14,16H,5-6,8,12-13H2,1-3H3 |
| InChIKey |
OXURDZWSFVNBEH-UHFFFAOYSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OC1=CC=CC(CC)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905111 |
