| SpectraBase Compound ID | 3qmhnShjdZE |
|---|---|
| InChI | InChI=1S/C15H16O5/c1-9(16)10-4-5-11-7-15(13(17)19-2,14(18)20-3)8-12(11)6-10/h4-6H,7-8H2,1-3H3 |
| InChIKey | FNRXUAYYNGRULE-UHFFFAOYSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C15H16O5 |
| Exact Mass | 276.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EN5v0bBB5qS |
|---|---|
| Name | Dimethy 5-acetyl-1,3-dihydro-2H-indene-2,2-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.099773610 u |
| Formula | C15H16O5 |
| InChI | InChI=1S/C15H16O5/c1-9(16)10-4-5-11-7-15(13(17)19-2,14(18)20-3)8-12(11)6-10/h4-6H,7-8H2,1-3H3 |
| InChIKey | FNRXUAYYNGRULE-UHFFFAOYSA-N |
| Molecular Weight | 276.288 g/mol |
| SMILES | C1(CC=2C=C(C(=O)C)C=CC2C1)(C(=O)OC)C(=O)OC |