| SpectraBase Spectrum ID |
8cXrMPS9rg |
| Name |
5-[(Tert-butylamino)methyl]-7-(4-hydroxybenzyl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.225977184 u |
| Formula |
C20H29N3O2 |
| InChI |
InChI=1S/C20H29N3O2/c1-18(2,3)21-9-20-12-22-10-19(17(20)25,11-23(13-20)14-22)8-15-4-6-16(24)7-5-15/h4-7,21,24H,8-14H2,1-3H3/t19-,20+ |
| InChIKey |
AOAAOOHQQGJAAR-BGYRXZFFSA-N |
| Molecular Weight |
343.471 g/mol |
| SMILES |
[C@]12(C([C@@]3(CN(C2)CN(C1)C3)CC1=CC=C(C=C1)O)=O)CNC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928278 |
![5-[(Tert-butylamino)methyl]-7-(4-hydroxybenzyl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one](/api/spectrum/8cXrMPS9rg/structure.png?h=300&w=458 "5-[(Tert-butylamino)methyl]-7-(4-hydroxybenzyl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one")
