| SpectraBase Spectrum ID |
Lv2oBNaCNju |
| Name |
1-[(4-Hydroxy-3-methoxyphenyl)methyl]-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.163042573 u |
| Formula |
C17H22N2O3 |
| InChI |
InChI=1S/C17H22N2O3/c1-22-15-6-12(2-3-14(15)20)7-17-10-18-4-5-19(11-17)9-13(8-18)16(17)21/h2-3,6,13,20H,4-5,7-11H2,1H3/t13-,17+ |
| InChIKey |
PSTKNMKLFNXMSV-XFHMXUHZSA-N |
| SMILES |
C1CN2C[C@]3(CN1C[C@](C3=O)(C2)CC1=CC=C(C(=C1)OC)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932095 |
![1-[(4-Hydroxy-3-methoxyphenyl)methyl]-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-one](/api/spectrum/Lv2oBNaCNju/structure.png?h=300&w=458 "1-[(4-Hydroxy-3-methoxyphenyl)methyl]-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-one")
