| SpectraBase Spectrum ID |
AMWgF36lDEG |
| Name |
3-Benzazocine-3(2H)-carboxylic acid, 1,4,5,6-tetrahydro-8,9-dimethoxy-2-oxo-, phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.157622840 u |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-25-18-11-16-9-6-10-22(20(23)13-17(16)12-19(18)26-2)21(24)27-14-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3 |
| InChIKey |
RWQFJRXQVPWOEM-UHFFFAOYSA-N |
| Molecular Weight |
369.417 g/mol |
| SMILES |
C1(N(CCCC2=CC(=C(C=C2C1)OC)OC)C(OCC=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9671 |
