| SpectraBase Compound ID | CGWVWOKhGFW |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-8-4-5-11-9(6-8)10(7-14)12(15)16-13(11,2)3/h8-11H,4-6H2,1-3H3/t8-,9+,10+,11-/m1/s1 |
| InChIKey | FYCFFZJNHCEVOU-VPOLOUISSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BSbqYEhlV1B |
|---|---|
| Name | (4R,4aR,6R,8aR)-1,1,6-trimethyl-3-oxidanylidene-4a,5,6,7,8,8a-hexahydro-4H-isochromene-4-carbonitrile |
| CAS Registry Number | 120230-03-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-8-4-5-11-9(6-8)10(7-14)12(15)16-13(11,2)3/h8-11H,4-6H2,1-3H3/t8-,9+,10+,11-/m1/s1 |
| InChIKey | FYCFFZJNHCEVOU-VPOLOUISSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | [C@@]1(C(OC([C@]2([C@]1(C[C@@](CC2)(C)[H])[H])[H])(C)C)=O)(C#N)[H] |
| SPLASH | splash10-0006-9610000000-b66e1befa00a7ab0545b |
| Source of Spectrum | J-54-3128-33 |
| Synonyms | (4R,4aR,6R,8aR)-1,1,6-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-2-benzopyran-4-carbonitrile (4R,4aR,6R,8aR)-1,1,6-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-isochromene-4-carbonitrile (4R,4aR,6R,8aR)-3-keto-1,1,6-trimethyl-4a,5,6,7,8,8a-hexahydro-4H-isochromene-4-carbonitrile |
| Wiley ID | 1221407 |