| SpectraBase Spectrum ID |
3glJ07G9xvb |
| Name |
Glutaric acid, di(5-methoxy-3-phenylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.282489002 u |
| Formula |
C29H40O6 |
| InChI |
InChI=1S/C29H40O6/c1-32-20-16-26(24-10-5-3-6-11-24)18-22-34-28(30)14-9-15-29(31)35-23-19-27(17-21-33-2)25-12-7-4-8-13-25/h3-8,10-13,26-27H,9,14-23H2,1-2H3 |
| InChIKey |
RDKOKXBIOLKPQV-UHFFFAOYSA-N |
| Molecular Weight |
484.633 g/mol |
| SMILES |
COCCC(CCOC(CCCC(OCCC(C1=CC=CC=C1)CCOC)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982664 |
