| SpectraBase Spectrum ID |
KSbZ6iNfppa |
| Name |
8-isocyano-10,14-amphilectadiene |
| Alternate Name(s) |
(1R,3a(1)S,6aR)-6a-isocyano-3,6,9-trimethyl-1-(2-methylprop-1-en-1-yl)-2,3,3a,3a(1),4,5,6,6a,7,9a-decahydro-1H-phenalene |
| CAS Registry Number |
108695-81-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31N |
| InChI |
InChI=1S/C21H31N/c1-13(2)11-17-12-15(4)18-8-7-16(5)21(22-6)10-9-14(3)19(17)20(18)21/h9,11,15-20H,7-8,10,12H2,1-5H3/t15?,16?,17-,18?,19?,20-,21+/m0/s1 |
| InChIKey |
LWHJQLLQRCVYJH-VHUWFZTASA-N |
| Molecular Weight |
297.486 g/mol |
| SMILES |
[C@]12([C@@]3(C([C@@](C=C(C)C)(CC(C3CCC1C)C)[H])C(=CC2)C)[H])[N+]#[C-] |
| SPLASH |
splash10-0a4i-0930000000-aa88977dd31f607d2428 |
| Source of Spectrum |
J-52-3336-3 |
| Wiley ID |
1300412 |
