| SpectraBase Spectrum ID |
F5jwx90tp4h |
| Name |
Diglycolic acid, isohexyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.193673997 u |
| Formula |
C19H28O5 |
| InChI |
InChI=1S/C19H28O5/c1-16(2)8-6-12-23-18(20)14-22-15-19(21)24-13-7-11-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15H2,1-2H3 |
| InChIKey |
YMPSKPASOXLNMY-UHFFFAOYSA-N |
| Molecular Weight |
336.428 g/mol |
| SMILES |
C(COCC(=O)OCCCC(C)C)(=O)OCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876425 |
