| SpectraBase Compound ID | IkZMsFSzhFW |
|---|---|
| InChI | InChI=1S/C21H27NO4/c1-2-3-4-5-13-19(23)26-16-10-8-9-15(14-16)22-20(24)17-11-6-7-12-18(17)21(22)25/h8-10,14,17-18H,2-7,11-13H2,1H3 |
| InChIKey | AUCTWCKWYMANKF-UHFFFAOYSA-N |
| Mol Weight | 357.45 g/mol |
| Molecular Formula | C21H27NO4 |
| Exact Mass | 357.194008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2UCmbr6Koex |
|---|---|
| Name | 3-(1,3-Dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27NO4 |
| InChI | InChI=1S/C21H27NO4/c1-2-3-4-5-13-19(23)26-16-10-8-9-15(14-16)22-20(24)17-11-6-7-12-18(17)21(22)25/h8-10,14,17-18H,2-7,11-13H2,1H3 |
| InChIKey | AUCTWCKWYMANKF-UHFFFAOYSA-N |
| Molecular Weight | 357.450 g/mol |
| SMILES | CCCCCCC(Oc1cc(N2C(C3CCCCC3C2=O)=O)ccc1)=O |
| SPLASH | splash10-0002-9270000000-5ba7442b292c2bb4eeab |
| Synonyms | Heptanoic acid 3-(1,3-dioxo-octahydro-isoindol-2-yl)-phenyl ester Heptanoic acid [3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] ester [3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] heptanoate [3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] heptanoate |
| Wiley ID | 1457130 |