| SpectraBase Spectrum ID |
4qWHRNFa4qs |
| Name |
7-isocyano-11-cycloamphilectene |
| Alternate Name(s) |
(3aR,3a(1)S,4S,10aS)-1-isocyano-1,4,7,7-tetramethyl-1,2,3,3a,3a(1),4,5,5a,6,7,8,9,10,10a-tetradecahydropyrene |
| CAS Registry Number |
108695-80-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31N |
| InChI |
InChI=1S/C21H31N/c1-13-10-15-12-20(2,3)11-14-6-7-17-19(18(14)15)16(13)8-9-21(17,4)22-5/h13,15-17,19H,6-12H2,1-4H3/t13-,15?,16+,17-,19-,21?/m0/s1 |
| InChIKey |
HZSWUEYUYRVTAG-NCBVUGACSA-N |
| Molecular Weight |
297.486 g/mol |
| SMILES |
C1=2[C@@]3([C@]4(C([N+]#[C-])(C)CC[C@]3([H])[C@](CC1CC(C)(C)CC2CC4)(C)[H])[H])[H] |
| SPLASH |
splash10-0a4i-0090000000-689fba4070dd69f27b0c |
| Source of Spectrum |
J-52-3336-2 |
| Wiley ID |
1300411 |
