| SpectraBase Compound ID | GcqZKDXZpRh |
|---|---|
| InChI | InChI=1S/C16H23N3/c1-16(2)7-5-6-11-12(9-17)13(10-18)15(19(3)4)8-14(11)16/h8,11-13,15H,5-7H2,1-4H3/t11-,12+,13-,15-/m1/s1 |
| InChIKey | KXFXOFITGOHGOT-QVHKTLOISA-N |
| Mol Weight | 257.38 g/mol |
| Molecular Formula | C16H23N3 |
| Exact Mass | 257.189198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HLoQNHZ0NXw |
|---|---|
| Name | (1S,2R,3R,8aR)-3-(dimethylamino)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene-1,2-dicarbonitrile |
| CAS Registry Number | 130487-08-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H23N3 |
| InChI | InChI=1S/C16H23N3/c1-16(2)7-5-6-11-12(9-17)13(10-18)15(19(3)4)8-14(11)16/h8,11-13,15H,5-7H2,1-4H3/t11-,12+,13-,15-/m1/s1 |
| InChIKey | KXFXOFITGOHGOT-QVHKTLOISA-N |
| Molecular Weight | 257.381 g/mol |
| SMILES | C12=C[C@@](N(C)C)([C@@]([C@]([C@]2(CCCC1(C)C)[H])(C#N)[H])(C#N)[H])[H] |
| SPLASH | splash10-0002-0900000000-9dc98d2ae8b9a6d3cd46 |
| Source of Spectrum | H-73-648-18 |
| Synonyms | 1,2-Naphthalenedicarbonitrile, 3-(dimethylamino)-1,2,3,5,6,7,8,8a-octahydro-5,5-dimethyl-, (1.alpha.,2.beta.,3.alpha.,8a.beta.)-(.+-.)- (4aRS,5RS,6SR,7RS)-7-(Dimethylamino)-1,2,3,4,4a,5,6,7-octahydro-1,1-dimethylnaphthalene-5,6-dicarbonitrile (4aRS,5SR,6RS,7RS)-7-(Dimethylamino)-1,2,3,4,4a,5,6,7-octahydro-1,1-dimethylnaphthalene-5,6-dicarbonitrile |
| Wiley ID | 1260986 |