| SpectraBase Spectrum ID |
Ct7XQgMuMVx |
| Name |
Diglycolic acid, isobutyl phenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-13(2)10-21-16(18)12-19-11-15(17)20-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3 |
| InChIKey |
FFMVZFKFLQNJKN-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C(COCC(=O)OCC(C)C)(=O)OCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907551 |
