| SpectraBase Spectrum ID |
JnyviIaZjrE |
| Name |
(+)-(3S,4S)-N-benzyl-3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-4-(2-propenyl)-1,2,3,4-tetrahydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.251523226 u |
| Formula |
C30H35NO5 |
| InChI |
InChI=1S/C30H35NO5/c1-7-11-22-23-17-27(34-4)30(36-6)29(35-5)24(23)19-31(18-20-12-9-8-10-13-20)28(22)21-14-15-25(32-2)26(16-21)33-3/h7-10,12-17,22,28H,1,11,18-19H2,2-6H3/t22-,28+/m0/s1 |
| InChIKey |
ZOBRSRNGQFWRSM-RBISFHTESA-N |
| Molecular Weight |
489.612 g/mol |
| SMILES |
C=12C([C@](CC=C)([C@](N(C2)CC=2C=CC=CC2)(C2=CC(OC)=C(C=C2)OC)[H])[H])=CC(=C(C1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893084 |
