| SpectraBase Compound ID | F91vXfZSywi |
|---|---|
| InChI | InChI=1S/C21H20N2O3/c1-2-26-20(25)21(13-23)17(12-22)15-10-6-7-11-16(15)18(19(21)24)14-8-4-3-5-9-14/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3 |
| InChIKey | UOSFJDGSTWTMSR-UHFFFAOYSA-N |
| Mol Weight | 348.4 g/mol |
| Molecular Formula | C21H20N2O3 |
| Exact Mass | 348.147393 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ibR9N7N88g |
|---|---|
| Name | Naphthalene-2-carboxylic acid, 2,3,4,4a,5,6,7,8-octahydro-1,2-dicyano-3-oxo-4-phenyl-, ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20N2O3 |
| InChI | InChI=1S/C21H20N2O3/c1-2-26-20(25)21(13-23)17(12-22)15-10-6-7-11-16(15)18(19(21)24)14-8-4-3-5-9-14/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3 |
| InChIKey | UOSFJDGSTWTMSR-UHFFFAOYSA-N |
| Molecular Weight | 348.402 g/mol |
| SMILES | C1CCCC=2C1C(C(C(C2C#N)(C#N)C(OCC)=O)=O)c1ccccc1 |
| SPLASH | splash10-002b-4930000000-16a59700b5e6262d496c |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 1,2-Dicyano-3-keto-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-2-carboxylic acid ethyl ester 1,2-Dicyano-3-oxo-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-2-carboxylic acid ethyl ester Ethyl 1,2-dicyano-3-oxidanylidene-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-2-carboxylate Ethyl 1,2-dicyano-3-oxo-4-phenyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenecarboxylate Ethyl 1,2-dicyano-3-oxo-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-2-carboxylate |
| Wiley ID | 1435032 |