SpectraBase Spectrum ID |
ds9V7PmGK8 |
Name |
1-(4-Methoxyphenyl)-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.168127954 u |
Formula |
C16H22N2O2 |
InChI |
InChI=1S/C16H22N2O2/c1-20-14-4-2-13(3-5-14)16-10-17-6-7-18(11-16)9-12(8-17)15(16)19/h2-5,12,15,19H,6-11H2,1H3/t12-,15?,16+ |
InChIKey |
BADIXMGLEYHTJU-KEFSRYGDSA-N |
SMILES |
C1[C@]2(CN3CCN1C[C@@](C2O)(C3)C1=CC=C(OC)C=C1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932085 |