| SpectraBase Spectrum ID |
CvCJ8ZdoKwj |
| Name |
4,4'-Trimethylenedibenzoic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.136159120 u |
| Formula |
C19H20O4 |
| InChI |
InChI=1S/C19H20O4/c1-22-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(13-9-15)19(21)23-2/h6-13H,3-5H2,1-2H3 |
| InChIKey |
VEZONEJXOPSUHU-UHFFFAOYSA-N |
| Molecular Weight |
312.365 g/mol |
| SMILES |
C=1C(=CC=C(C1)C(OC)=O)CCCC=1C=CC(=CC1)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.981295 |
