| SpectraBase Spectrum ID |
HzB9s5Fr1XD |
| Name |
1-Phenanthrenepropanenitrile, 1,4,4A,4B,5,6,7,8,8A,9,10,10A-dodecahydro-2,4B,8,8,10A-pentamethyl-, [1S-(1.alpha.,4A.alpha.,4B.beta.,8A.alpha.,10A.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.276950131 u |
| Formula |
C22H35N |
| InChI |
InChI=1S/C22H35N/c1-16-9-10-19-21(4,17(16)8-6-15-23)14-11-18-20(2,3)12-7-13-22(18,19)5/h9,17-19H,6-8,10-14H2,1-5H3/t17-,18-,19-,21-,22-/m0/s1 |
| InChIKey |
CODAJVZQNDUZGW-PAPPXSOASA-N |
| Molecular Weight |
313.529 g/mol |
| SMILES |
[C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CCC#N)[H])C)[H])C |
![1-Phenanthrenepropanenitrile, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-, [1S-(1.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-](/api/spectrum/HzB9s5Fr1XD/structure.png?h=300&w=458 "1-Phenanthrenepropanenitrile, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-, [1S-(1.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-")
