SpectraBase Spectrum ID |
1OcgzB1ifMv |
Name |
4-Azabicyclo[3.3.1]nonan-9-ol, 1-(2,5-dimethoxyphenyl)-4-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.183443666 u |
Formula |
C17H25NO3 |
InChI |
InChI=1S/C17H25NO3/c1-18-10-9-17(8-4-5-14(18)16(17)19)13-11-12(20-2)6-7-15(13)21-3/h6-7,11,14,16,19H,4-5,8-10H2,1-3H3/t14-,16?,17-/m0/s1 |
InChIKey |
NZHVRAHAQKHCKU-NZEUDUFCSA-N |
Molecular Weight |
291.391 g/mol |
SMILES |
C1=C(C=CC(=C1[C@]12CCC[C@@](C2O)(N(C)CC1)[H])OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935843 |