| SpectraBase Spectrum ID |
4FRJW1GzF3Q |
| Name |
(Phenylmethyl) 8-methyl-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.167793602 u |
| Formula |
C21H23NO3 |
| InChI |
InChI=1S/C21H23NO3/c1-15-7-6-10-18-11-12-22(19(20(15)18)13-16(2)23)21(24)25-14-17-8-4-3-5-9-17/h3-10,19H,11-14H2,1-2H3 |
| InChIKey |
OUEXGGJRVYTQSN-UHFFFAOYSA-N |
| Molecular Weight |
337.419 g/mol |
| SMILES |
C1(N(CCC=2C=CC=C(C12)C)C(OCC=1C=CC=CC1)=O)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964839 |
