| SpectraBase Compound ID | 9QH5hDS3B9h |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-14-10(12)8-5-3-4-6-9(7-8)11(13)15-2/h3-6H,7H2,1-2H3 |
| InChIKey | QPELUVABRVNWOS-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rwda26dADY |
|---|---|
| Name | 1,3,5-CYCLOHEPTATRIENE-1,6-DICARBOXYLIC ACID, DIMETHYL ESTER |
| Source of Sample | H. Guenther, G. Jikeli Chem. Ber. 106, 1863(1973) |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-14-10(12)8-5-3-4-6-9(7-8)11(13)15-2/h3-6H,7H2,1-2H3 |
| InChIKey | QPELUVABRVNWOS-UHFFFAOYSA-N |
| Molecular Weight | 208.22 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90 |