| SpectraBase Compound ID | 4WypfGHTZIH |
|---|---|
| InChI | InChI=1S/C13H19NO/c1-12(2)6-3-7-13(9-14)8-10(15)4-5-11(12)13/h11H,3-8H2,1-2H3/t11-,13-/m0/s1 |
| InChIKey | IGUSDJBZMGGERO-AAEUAGOBSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C13H19NO |
| Exact Mass | 205.146664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GCUwGuxAiCB |
|---|---|
| Name | cis-Octahydro-8a-cyano-5,5-dimethyl-2(1H)-naphthalenone |
| Alternate Name(s) | (4aR,8aS)-1,1-dimethyl-6-oxooctahydro-4a(2H)-naphthalenecarbonitrile (4aR,8aS)-8,8-dimethyl-3-oxo-2,4,5,6,7,8a-hexahydro-1H-naphthalene-4a-carbonitrile (4aR,8aS)-1,1-dimethyl-6-oxo-decalin-4a-carbonitrile (4aR,8aS)-8,8-dimethyl-3-oxidanylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalene-4a-carbonitrile |
| CAS Registry Number | 71886-88-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19NO |
| InChI | InChI=1S/C13H19NO/c1-12(2)6-3-7-13(9-14)8-10(15)4-5-11(12)13/h11H,3-8H2,1-2H3/t11-,13-/m0/s1 |
| InChIKey | IGUSDJBZMGGERO-AAEUAGOBSA-N |
| Molecular Weight | 205.301 g/mol |
| SMILES | [C@]12([C@](C(C)(C)CCC2)(CCC(C1)=O)[H])C#N |
| SPLASH | splash10-0a4l-9230000000-0bb46ed15ea1f074753a |
| Source of Spectrum | J-45-229-0 |
| Wiley ID | 1203541 |