![Perhydrobenzo[a]cycloheptene-6,8-dicarboxylic acid, perhydro-7-oxo-, diethyl ester](/api/spectrum/2nmz9arCg9F/structure.png?h=300&w=458 "Perhydrobenzo[a]cycloheptene-6,8-dicarboxylic acid, perhydro-7-oxo-, diethyl ester")
| SpectraBase Compound ID | KMZbLMpSg2N |
|---|---|
| InChI | InChI=1S/C17H26O5/c1-3-21-16(19)13-9-11-7-5-6-8-12(11)10-14(15(13)18)17(20)22-4-2/h11-14H,3-10H2,1-2H3 |
| InChIKey | MLWCQJSJZICVMV-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C17H26O5 |
| Exact Mass | 310.178024 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2nmz9arCg9F |
|---|---|
| Name | Perhydrobenzo[a]cycloheptene-6,8-dicarboxylic acid, perhydro-7-oxo-, diethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O5 |
| InChI | InChI=1S/C17H26O5/c1-3-21-16(19)13-9-11-7-5-6-8-12(11)10-14(15(13)18)17(20)22-4-2/h11-14H,3-10H2,1-2H3 |
| InChIKey | MLWCQJSJZICVMV-UHFFFAOYSA-N |
| Molecular Weight | 310.390 g/mol |
| SMILES | C12C(CCCC2)CC(C(C(C1)C(=O)OCC)=O)C(=O)OCC |
| SPLASH | splash10-05ql-9730000000-f10c5d2b15a52eec0d01 |
| Synonyms | 7-keto-1,2,3,4,4a,5,6,8,9,9a-decahydrobenzocycloheptene-6,8-dicarboxylic acid diethyl ester 7-Oxo-1,2,3,4,4a,5,6,8,9,9a-decahydrobenzo[7]annulene-6,8-dicarboxylic acid diethyl ester Diethyl 7-oxidanylidene-1,2,3,4,4a,5,6,8,9,9a-decahydrobenzo[7]annulene-6,8-dicarboxylate Diethyl 7-oxo-1,2,3,4,4a,5,6,8,9,9a-decahydrobenzo[7]annulene-6,8-dicarboxylate Diethyl 7-oxodecahydro-1H-benzo[a]cycloheptene-6,8-dicarboxylate |
| Wiley ID | 1477658 |