| SpectraBase Spectrum ID |
AX7lQzKkA6u |
| Name |
9-Phenanthrenemethyl 2-phenylcinnamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.161979946 u |
| Formula |
C30H22O2 |
| InChI |
InChI=1S/C30H22O2/c31-30(20-29(22-11-3-1-4-12-22)23-13-5-2-6-14-23)32-21-25-19-24-15-7-8-16-26(24)28-18-10-9-17-27(25)28/h1-20H,21H2 |
| InChIKey |
CBRWAAJMTRWNNH-UHFFFAOYSA-N |
| Molecular Weight |
414.504 g/mol |
| SMILES |
C1=C2C(=CC=C1)C1=C(C(=C2)COC(=O)C=C(C=2C=CC=CC2)C=2C=CC=CC2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941031 |
