| SpectraBase Spectrum ID |
3Vk8gSMeTOP |
| Name |
5-[(4-Methoxyphenyl)methyl]-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 |
272.152477890 u |
| Formula |
C16H20N2O2 |
| InChI |
InChI=1S/C16H20N2O2/c1-20-14-4-2-12(3-5-14)6-16-9-17-7-13(15(16)19)8-18(10-16)11-17/h2-5,13H,6-11H2,1H3/t13-,16+ |
| InChIKey |
WCTMFKZRCHSNQV-AKAXFMLLSA-N |
| Molecular Weight |
272.348 g/mol |
| SMILES |
C1N2C[C@]3(CN1C[C@@](C2)(C3=O)CC1=CC=C(OC)C=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902391 |
![5-[(4-Methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one](/api/spectrum/3Vk8gSMeTOP/structure.png?h=300&w=458 "5-[(4-Methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one")
