| SpectraBase Spectrum ID |
A7u2SbhaOC2 |
| Name |
2-Hydroxy-3,8-dimethoxypavinane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.152143537 u |
| Formula |
C19H21NO3 |
| InChI |
InChI=1S/C19H21NO3/c1-20-16-6-11-4-5-13(21)9-14(11)17(20)7-12-8-18(22-2)19(23-3)10-15(12)16/h4-5,8-10,16-17,21H,6-7H2,1-3H3/t16-,17-/m0/s1 |
| InChIKey |
TYNXNBLECAKMJB-IRXDYDNUSA-N |
| Molecular Weight |
311.381 g/mol |
| SMILES |
[C@@]12(N([C@@](CC3=CC(=C(C=C23)OC)OC)(C2=C(C=CC(=C2)O)C1)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922256 |
