| SpectraBase Spectrum ID |
LVNSVtm2AiC |
| Name |
1,2,3,4-Tetrahydroisoquinoline, N-acetyl-6,7-diacetoxy-1-benzyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.157622840 u |
| Formula |
C22H23NO5 |
| InChI |
InChI=1S/C22H23NO5/c1-14(24)23-10-9-18-12-21(27-15(2)25)22(28-16(3)26)13-19(18)20(23)11-17-7-5-4-6-8-17/h4-8,12-13,20H,9-11H2,1-3H3 |
| InChIKey |
ISKPFUSUXLDKRL-UHFFFAOYSA-N |
| Molecular Weight |
381.428 g/mol |
| SMILES |
C12=C(C=C(C(=C2)OC(C)=O)OC(C)=O)CCN(C1CC1=CC=CC=C1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890926 |
