| SpectraBase Spectrum ID |
bMCbz6sm1K |
| Name |
Dimethyl (10-phenylphenanthren-9-yl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.136159120 u |
| Formula |
C25H20O4 |
| InChI |
InChI=1S/C25H20O4/c1-28-24(26)23(25(27)29-2)22-20-15-9-7-13-18(20)17-12-6-8-14-19(17)21(22)16-10-4-3-5-11-16/h3-15,23H,1-2H3 |
| InChIKey |
WCSFFHQLINSOML-UHFFFAOYSA-N |
| Molecular Weight |
384.431 g/mol |
| SMILES |
C1(=C(C2=CC=CC=C2C=2C1=CC=CC2)C=1C=CC=CC1)C(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809474 |
