| SpectraBase Spectrum ID |
BddttCKJqWs |
| Name |
Glutaric acid, 3-methylbut-2-yl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.193673997 u |
| Formula |
C23H28O5 |
| InChI |
InChI=1S/C23H28O5/c1-17(2)18(3)27-23(25)14-8-13-22(24)26-16-19-9-7-12-21(15-19)28-20-10-5-4-6-11-20/h4-7,9-12,15,17-18H,8,13-14,16H2,1-3H3 |
| InChIKey |
PXSCXNJMPNKGLR-UHFFFAOYSA-N |
| Molecular Weight |
384.472 g/mol |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902965 |
