| SpectraBase Compound ID | 8rNWODUPmBp |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-3-12-8(10)6-4-5(6)7(9)11-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | PSWYXXNEDUYTHS-WDSKDSINSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HqcPOgjUDK |
|---|---|
| Name | Trans methyl ester, ethyl ester of 1,2-cyclopropanedicarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-3-12-8(10)6-4-5(6)7(9)11-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | PSWYXXNEDUYTHS-WDSKDSINSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | [C@@]1([C@@](C(=O)OCC)(C1)[H])(C(=O)OC)[H] |