| SpectraBase Spectrum ID |
F4Oc6K8EH0N |
| Name |
1,5-Pentanediol, o,o'-di(4-methylbenzoyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-16-6-10-18(11-7-16)20(22)24-14-4-3-5-15-25-21(23)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3 |
| InChIKey |
YMFMDRBIEDIXFT-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C)(OCCCCCOC(=O)C1=CC=C(C)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933074 |
