![(1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2-keto-3,4-dimethyl-cyclohexanecarbonitrile](/api/spectrum/FHgjipoUxfu/structure.png?h=300&w=458 "(1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2-keto-3,4-dimethyl-cyclohexanecarbonitrile")
| SpectraBase Compound ID | 4H1lJITi9aC |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-9-3-4-11(8-16)13(17)15(9,2)12-7-10-5-6-18-14(10)19-12/h9-12,14H,3-7H2,1-2H3/t9-,10+,11+,12-,14-,15-/m1/s1 |
| InChIKey | XSOFYAJFOWWFLL-ZLSAFIHNSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FHgjipoUxfu |
|---|---|
| Name | (1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-2-keto-3,4-dimethyl-cyclohexanecarbonitrile |
| Alternate Name(s) | (1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-3,4-dimethyl-2-oxidanylidene-cyclohexane-1-carbonitrile (1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-3,4-dimethyl-2-oxo-1-cyclohexanecarbonitrile (1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-3,4-dimethyl-2-oxo-cyclohexanecarbonitrile (1S,3R,4R)-3-[(3aS,5R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-3,4-dimethyl-2-oxocyclohexane-1-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-9-3-4-11(8-16)13(17)15(9,2)12-7-10-5-6-18-14(10)19-12/h9-12,14H,3-7H2,1-2H3/t9-,10+,11+,12-,14-,15-/m1/s1 |
| InChIKey | XSOFYAJFOWWFLL-ZLSAFIHNSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | [C@]1([C@@]2(O[C@]3(OCC[C@]3(C2)[H])[H])[H])(C([C@](C#N)(CC[C@]1(C)[H])[H])=O)C |
| SPLASH | splash10-03di-6900000000-2097f36e134d5fff1b50 |
| Source of Spectrum | F-56-2087-16 |
| Wiley ID | 856369 |