| SpectraBase Spectrum ID |
Juo1gaoz0Y2 |
| Name |
Methyl ester of 6-methoxy-.alpha.-(phenylmethylene)-1-naphthalene acetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.125594437 u |
| Formula |
C21H18O3 |
| InChI |
InChI=1S/C21H18O3/c1-23-17-11-12-18-16(14-17)9-6-10-19(18)20(21(22)24-2)13-15-7-4-3-5-8-15/h3-14H,1-2H3/b20-13- |
| InChIKey |
PFDSCDIFXILRRB-MOSHPQCFSA-N |
| Molecular Weight |
318.372 g/mol |
| SMILES |
C1(\C(C(=O)OC)=C\C2=CC=CC=C2)=C2C(C=C(C=C2)OC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821899 |
