| SpectraBase Spectrum ID |
BjO965eTItp |
| Name |
5-[(4-Hydroxy-3-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 |
288.147392509 u |
| Formula |
C16H20N2O3 |
| InChI |
InChI=1S/C16H20N2O3/c1-21-14-4-11(2-3-13(14)19)5-16-8-17-6-12(15(16)20)7-18(9-16)10-17/h2-4,12,19H,5-10H2,1H3/t12-,16+ |
| InChIKey |
IKXFYKGGTQXSMQ-DRQUAOQDSA-N |
| Molecular Weight |
288.347 g/mol |
| SMILES |
C1N2C[C@]3(CN1C[C@@](C2)(C3=O)CC1=CC=C(C(=C1)OC)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932566 |
![5-[(4-Hydroxy-3-methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one](/api/spectrum/BjO965eTItp/structure.png?h=300&w=458 "5-[(4-Hydroxy-3-methoxyphenyl)methyl]-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one")
