| SpectraBase Compound ID | 3tFlV2aY8Cd |
|---|---|
| InChI | InChI=1S/C13H10O4/c1-2-7-15-13(14)6-4-10-3-5-11-12(8-10)17-9-16-11/h1,3-6,8H,7,9H2/b6-4+ |
| InChIKey | CNHMQLPXGCFPBA-GQCTYLIASA-N |
| Mol Weight | 230.22 g/mol |
| Molecular Formula | C13H10O4 |
| Exact Mass | 230.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5NXyhjwtSa |
|---|---|
| Name | 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.057908798 u |
| Formula | C13H10O4 |
| InChI | InChI=1S/C13H10O4/c1-2-7-15-13(14)6-4-10-3-5-11-12(8-10)17-9-16-11/h1,3-6,8H,7,9H2/b6-4+ |
| InChIKey | CNHMQLPXGCFPBA-GQCTYLIASA-N |
| Molecular Weight | 230.219 g/mol |
| SMILES | C1(=CC=C2C(=C1)OCO2)\C=C\C(OCC#C)=O |