| SpectraBase Compound ID | IoTD9ITO6Re |
|---|---|
| InChI | InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h15-20H,1,3,6-11H2,2,4-5H3/t15-,16+,17+,18-,19-,20+,21+/m0/s1 |
| InChIKey | OSTUOHSDKCQCCA-QJZPXWABSA-N |
| Mol Weight | 297.49 g/mol |
| Molecular Formula | C21H31N |
| Exact Mass | 297.24565 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3XzgTuAeBc |
|---|---|
| Name | (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilect-11(20),15-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31N |
| InChI | InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h15-20H,1,3,6-11H2,2,4-5H3/t15-,16+,17+,18-,19-,20+,21+/m0/s1 |
| InChIKey | OSTUOHSDKCQCCA-QJZPXWABSA-N |
| Molecular Weight | 297.486 g/mol |
| SMILES | [C@@]12([C@@]3([C@@](CC(=C)C)([H])C[C@@]([C@]2(CC[C@@]([C@]1(CCC3=C)[H])(C#N)C)[H])(C)[H])[H])[H] |
| SPLASH | splash10-00di-0190000000-7b1cdb60649795af4ac1 |
| Source of Spectrum | J-61-3261-10 |
| Synonyms | (1S,3aR,4S,6S,6aS,9aS,9bR)-1,4-dimethyl-7-methylene-6-(2-methylprop-2-enyl)-3,3a,4,5,6,6a,8,9,9a,9b-decahydro-2H-phenalene-1-carbonitrile (1S,3aR,4S,6S,6aS,9aS,9bR)-1,4-dimethyl-7-methylidene-6-(2-methylprop-2-enyl)-3,3a,4,5,6,6a,8,9,9a,9b-decahydro-2H-phenalene-1-carbonitrile |
| Wiley ID | 1299761 |