![2-[(1R,4aS,8aS)-2-keto-5,5,8a-trimethyl-decalin-1-yl]acetonitrile](/api/spectrum/2CggjcDOBU/structure.png?h=300&w=458 "2-[(1R,4aS,8aS)-2-keto-5,5,8a-trimethyl-decalin-1-yl]acetonitrile")
| SpectraBase Compound ID | J0Y6XAxSMPw |
|---|---|
| InChI | InChI=1S/C15H23NO/c1-14(2)8-4-9-15(3)11(7-10-16)12(17)5-6-13(14)15/h11,13H,4-9H2,1-3H3/t11-,13-,15+/m0/s1 |
| InChIKey | PMHNMDXFXJJZMF-CORIIIEPSA-N |
| Mol Weight | 233.35 g/mol |
| Molecular Formula | C15H23NO |
| Exact Mass | 233.177964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2CggjcDOBU |
|---|---|
| Name | 2-[(1R,4aS,8aS)-2-keto-5,5,8a-trimethyl-decalin-1-yl]acetonitrile |
| Alternate Name(s) | 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxidanylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethanenitrile 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxo-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetonitrile 2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxo-decalin-1-yl]acetonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H23NO |
| InChI | InChI=1S/C15H23NO/c1-14(2)8-4-9-15(3)11(7-10-16)12(17)5-6-13(14)15/h11,13H,4-9H2,1-3H3/t11-,13-,15+/m0/s1 |
| InChIKey | PMHNMDXFXJJZMF-CORIIIEPSA-N |
| Molecular Weight | 233.355 g/mol |
| SMILES | [C@@]12([C@](C(C)(C)CCC2)(CCC([C@@]1(CC#N)[H])=O)[H])C |
| SPLASH | splash10-01c9-8910000000-53da37f005143ee79c42 |
| Source of Spectrum | AT-32-4120-3 |
| Wiley ID | 835993 |