![9-Hydroxy-2,6,6-trimethyl-3a,4,11b,11c-tetrahydrochromeno[4,3-e]isoindole-1,3(2H,6H)-dione](/api/spectrum/EMHXEDYIY6Q/structure.png?h=300&w=458 "9-Hydroxy-2,6,6-trimethyl-3a,4,11b,11c-tetrahydrochromeno[4,3-e]isoindole-1,3(2H,6H)-dione")
| SpectraBase Compound ID | L6LheIQdKXc |
|---|---|
| InChI | InChI=1S/C18H19NO4/c1-18(2)12-7-6-11-15(17(22)19(3)16(11)21)14(12)10-5-4-9(20)8-13(10)23-18/h4-5,7-8,11,14-15,20H,6H2,1-3H3/t11-,14+,15-/m1/s1 |
| InChIKey | AFCWAEDOBSZYJR-BYCMXARLSA-N |
| Mol Weight | 313.35 g/mol |
| Molecular Formula | C18H19NO4 |
| Exact Mass | 313.131408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EMHXEDYIY6Q |
|---|---|
| Name | 9-Hydroxy-2,6,6-trimethyl-3a,4,11b,11c-tetrahydrochromeno[4,3-e]isoindole-1,3(2H,6H)-dione |
| Alternate Name(s) | (3aR,11bS,11cS)-9-hydroxy-2,6,6-trimethyl-3a,4,11b,11c-tetrahydrochromeno[4,3-e]isoindole-1,3(2H,6H)-dione (3aR,11bR,11cS)-9-hydroxy-2,6,6-trimethyl-3a,4,11b,11c-tetrahydro[1]benzopyrano[4,3-e]isoindole-1,3-dione (3aR,11bR,11cS)-9-hydroxy-2,6,6-trimethyl-3a,4,11b,11c-tetrahydrochromeno[4,3-e]isoindole-1,3-dione (3aR,11bR,11cS)-2,6,6-trimethyl-9-oxidanyl-3a,4,11b,11c-tetrahydrochromeno[4,3-e]isoindole-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19NO4 |
| InChI | InChI=1S/C18H19NO4/c1-18(2)12-7-6-11-15(17(22)19(3)16(11)21)14(12)10-5-4-9(20)8-13(10)23-18/h4-5,7-8,11,14-15,20H,6H2,1-3H3/t11-,14+,15-/m1/s1 |
| InChIKey | AFCWAEDOBSZYJR-BYCMXARLSA-N |
| Literature Reference DOI | 10.1021/co200107s |
| Molecular Weight | 313.353 g/mol |
| SMILES | Oc1ccc2c(OC(C)(C)C3=CC[C@@]4([C@]([C@@]23[H])(C(N(C4=O)C)=O)[H])[H])c1 |
| SPLASH | splash10-0005-9000000000-ed3aeba7959b3090ae81 |
| Source of Spectrum | ACS-13-554/SM30-21{2,8}_Endo |
| Wiley ID | 1754088 |