| SpectraBase Spectrum ID |
12o0PYU6SgN |
| Name |
3,4-Dihydro-1-(2-hydroxyphenethyl)isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.131014170 u |
| Formula |
C17H17NO |
| InChI |
InChI=1S/C17H17NO/c19-17-8-4-2-6-14(17)9-10-16-15-7-3-1-5-13(15)11-12-18-16/h1-8,19H,9-12H2 |
| InChIKey |
DJQMIDXVKRNWGA-UHFFFAOYSA-N |
| Molecular Weight |
251.329 g/mol |
| SMILES |
C1=CC=C2C(=C1)CCN=C2CCC=1C(O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975272 |