| SpectraBase Spectrum ID |
5bT9sO2h9pt |
| Name |
1,5-Pentanediol, o,o'-di(3-methylbenzoyl)- |
| 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/c1-16-8-6-10-18(14-16)20(22)24-12-4-3-5-13-25-21(23)19-11-7-9-17(2)15-19/h6-11,14-15H,3-5,12-13H2,1-2H3 |
| InChIKey |
XWJHNCMUQLLDSH-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C(C1=CC(=CC=C1)C)(OCCCCCOC(=O)C1=CC(C)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878472 |
