| SpectraBase Compound ID | IPnStBknoOL |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-8-5-10-11(14(19)17(2)13(10)18)6-9(8)7-12(15(20)22-3)16(21)23-4/h10-12H,5-7H2,1-4H3 |
| InChIKey | MAJCHFUBFWBMJT-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8vguydN8dGE |
|---|---|
| Name | 2-(2,6-Dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-5-ylmethyl)malonic acid dimethyl ester |
| Alternate Name(s) | Dimethyl 2-[(2,6-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-5-yl)methyl]malonate 2-[(2,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-5-yl)methyl]propanedioic acid dimethyl ester Dimethyl 2-[(2,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-5-yl)methyl]propanedioate Dimethyl 2-[[2,6-dimethyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-5-yl]methyl]propanedioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-8-5-10-11(14(19)17(2)13(10)18)6-9(8)7-12(15(20)22-3)16(21)23-4/h10-12H,5-7H2,1-4H3 |
| InChIKey | MAJCHFUBFWBMJT-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C1(N(C(C2CC(=C(CC12)CC(C(=O)OC)C(=O)OC)C)=O)C)=O |
| SPLASH | splash10-0006-7900000000-b94641e436ac53452a85 |
| Source of Spectrum | KC-57-9196-34 |
| Wiley ID | 1626355 |