| SpectraBase Spectrum ID |
e5ewj7U6Wy |
| Name |
N-[2-(3-Phenylpropyl)-1,2,3,4-tetrahydro-5-isoquinolyl]-3,4,5-trimethoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.236207514 u |
| Formula |
C28H32N2O4 |
| InChI |
InChI=1S/C28H32N2O4/c1-32-25-17-22(18-26(33-2)27(25)34-3)28(31)29-24-13-7-12-21-19-30(16-14-23(21)24)15-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-13,17-18H,8,11,14-16,19H2,1-3H3,(H,29,31) |
| InChIKey |
SNIORNWFLWALNX-UHFFFAOYSA-N |
| Molecular Weight |
460.574 g/mol |
| SMILES |
N(C(C1=CC(=C(C(=C1)OC)OC)OC)=O)C=1C=CC=C2CN(CCC12)CCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.931259 |
![N-[2-(3-phenylpropyl)-1,2,3,4-tetrahydro-5-isoquinolyl]-3,4,5-trimethoxybenzamide](/api/spectrum/e5ewj7U6Wy/structure.png?h=300&w=458 "N-[2-(3-phenylpropyl)-1,2,3,4-tetrahydro-5-isoquinolyl]-3,4,5-trimethoxybenzamide")
