| SpectraBase Spectrum ID |
5dJ5A2PVWHJ |
| Name |
5-[(4-Methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-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/c1-20-14-4-2-12(3-5-14)6-16-9-17-7-13(15(16)19)8-18(10-16)11-17/h2-5,13,15,19H,6-11H2,1H3/t13-,15?,16+ |
| InChIKey |
CRODLDDGQJYGKQ-FFRZMKHHSA-N |
| SMILES |
C1(=CC=C(C=C1)C[C@]12C([C@]3(CN(CN(C3)C1)C2)[H])O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8907 |
![5-[(4-Methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-ol](/api/spectrum/5dJ5A2PVWHJ/structure.png?h=300&w=458 "5-[(4-Methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-ol")
