![Benzoic acid, 4-(1,3,3a,3b,4,5,6,7,8,9,9a,9b-dodecahydro-1,3-dioxo-2-dicyclopentano[e,g]isoindolyl)-, methyl ester](/api/spectrum/B0no7Na7Hii/structure.png?h=300&w=458 "Benzoic acid, 4-(1,3,3a,3b,4,5,6,7,8,9,9a,9b-dodecahydro-1,3-dioxo-2-dicyclopentano[e,g]isoindolyl)-, methyl ester")
| SpectraBase Compound ID | HJtCvkgSKMW |
|---|---|
| InChI | InChI=1S/C22H23NO4/c1-27-22(26)12-8-10-13(11-9-12)23-20(24)18-16-6-2-4-14(16)15-5-3-7-17(15)19(18)21(23)25/h8-11,16-19H,2-7H2,1H3 |
| InChIKey | AXHUTVSXHVQYAT-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C22H23NO4 |
| Exact Mass | 365.162708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0no7Na7Hii |
|---|---|
| Name | Benzoic acid, 4-(1,3,3a,3b,4,5,6,7,8,9,9a,9b-dodecahydro-1,3-dioxo-2-dicyclopentano[e,g]isoindolyl)-, methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H23NO4 |
| InChI | InChI=1S/C22H23NO4/c1-27-22(26)12-8-10-13(11-9-12)23-20(24)18-16-6-2-4-14(16)15-5-3-7-17(15)19(18)21(23)25/h8-11,16-19H,2-7H2,1H3 |
| InChIKey | AXHUTVSXHVQYAT-UHFFFAOYSA-N |
| Molecular Weight | 365.429 g/mol |
| SMILES | C12C3C(C4C(=C2CCC1)CCC4)C(N(C3=O)c1ccc(cc1)C(OC)=O)=O |
| SPLASH | splash10-001l-3902000000-15f0d73c94ce969a62f6 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 4-(1,3-diketo-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-as-indaceno[4,5-c]pyrrol-2-yl)benzoic acid methyl ester 4-(1,3-dioxo-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-as-indaceno[4,5-c]pyrrol-2-yl)benzoic acid methyl ester Methyl 4-(1,3-dioxo-1,3,3a,3b,4,5,6,7,8,9,9a,9b-dodecahydro-2H-dicyclopenta[e,g]isoindol-2-yl)benzoate Methyl 4-(1,3-dioxo-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-as-indaceno[4,5-c]pyrrol-2-yl)benzoate Methyl 4-[1,3-bis(oxidanylidene)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-as-indaceno[4,5-c]pyrrol-2-yl]benzoate |
| Wiley ID | 1426703 |