| SpectraBase Compound ID | LB9IalMFBwZ |
|---|---|
| InChI | InChI=1S/C16H21NO/c1-10(2)14-7-11(3)12(4)15-8-13(18)5-6-16(14,15)9-17/h8,11-12,14H,1,5-7H2,2-4H3/t11-,12-,14+,16-/m1/s1 |
| InChIKey | UJBZDPSLKBADOO-UNIGVISCSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LlP2B1hkoq5 |
|---|---|
| Name | (1R,2R,4S,4aR)-1,2-dimethyl-4-(1-methylethenyl)-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c1-10(2)14-7-11(3)12(4)15-8-13(18)5-6-16(14,15)9-17/h8,11-12,14H,1,5-7H2,2-4H3/t11-,12-,14+,16-/m1/s1 |
| InChIKey | UJBZDPSLKBADOO-UNIGVISCSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | C=1C(CC[C@]2([C@@](C[C@]([C@](C12)(C)[H])(C)[H])(C(=C)C)[H])C#N)=O |
| SPLASH | splash10-0f6y-9450000000-2ab58c19a984579279b7 |
| Source of Spectrum | F-56-2091-26 |
| Synonyms | (1R,2R,4S,4aR)-1,2-dimethyl-7-oxidanylidene-4-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile (1R,2R,4S,4aR)-1,2-dimethyl-7-oxo-4-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile (1R,2R,4S,4aR)-4-isopropenyl-1,2-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile (1R,2R,4S,4aR)-4-isopropenyl-7-keto-1,2-dimethyl-1,2,3,4,5,6-hexahydronaphthalene-4a-carbonitrile |
| Wiley ID | 856349 |