| SpectraBase Spectrum ID |
E8wvW4ciBAy |
| Name |
7-Methoxy-1,2,3,4-tetrahydro-4-isoquinolinol, propionate (ester), hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.097521141 u |
| Formula |
C13H18ClNO3 |
| InChI |
InChI=1S/C13H17NO3.ClH/c1-3-13(15)17-12-8-14-7-9-6-10(16-2)4-5-11(9)12;/h4-6,12,14H,3,7-8H2,1-2H3;1H |
| InChIKey |
VKENPYTVSSGFBI-UHFFFAOYSA-N |
| Molecular Weight |
271.744 g/mol |
| SMILES |
N1CC(C2=C(C1)C=C(C=C2)OC)OC(=O)CC.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.939342 |
