| SpectraBase Spectrum ID |
24Jh7jNGJJA |
| Name |
Propanedioic acid, (3,4-dihydro-1-phenyl-3-phenanthrenyl)-, dimethyl ester (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.151809184 u |
| Formula |
C25H22O4 |
| InChI |
InChI=1S/C25H22O4/c1-28-24(26)23(25(27)29-2)18-14-21(16-8-4-3-5-9-16)20-13-12-17-10-6-7-11-19(17)22(20)15-18/h3-14,18,23H,15H2,1-2H3 |
| InChIKey |
JZYJWWVCCQLZBO-UHFFFAOYSA-N |
| Molecular Weight |
386.447 g/mol |
| SMILES |
C12=C3C=CC=CC3=CC=C1C(C1=CC=CC=C1)=CC(C2)C(C(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912346 |
