| SpectraBase Spectrum ID |
98mz9rk6qfN |
| Name |
3-(4-{6-Hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1{3,7}]decan-2-yl}-2,2-dimethyloxan-4-yl)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.257277313 u |
| Formula |
C20H33N3O2 |
| InChI |
InChI=1S/C20H33N3O2/c1-17(2)10-20(6-5-8-21,7-9-25-17)16-22-11-18(3)12-23(16)14-19(4,13-22)15(18)24/h15-16,24H,5-7,9-14H2,1-4H3/t15-,16-,18-,19+,20?/m0/s1 |
| InChIKey |
ZIFJKFKHHJEKHG-UFPRQQMNSA-N |
| Molecular Weight |
347.503 g/mol |
| SMILES |
[C@]1(N2C[C@@]3(CN1C[C@](C2)([C@]3(O)[H])C)C)(C1(CCOC(C)(C)C1)CCC#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853262 |
![3-(4-{6-Hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1{3,7}]decan-2-yl}-2,2-dimethyloxan-4-yl)propanenitrile](/api/spectrum/98mz9rk6qfN/structure.png?h=300&w=458 "3-(4-{6-Hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1{3,7}]decan-2-yl}-2,2-dimethyloxan-4-yl)propanenitrile")
