| SpectraBase Compound ID | AkYHE092eou |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-3-8-20-14(17)9-13-10(2)15(18)11-6-4-5-7-12(11)16(13)19/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | CEPQZSTVTJSTQA-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TTDl6cm04x |
|---|---|
| Name | Propyl (3-methyl-1,4-dioxo-1,4-dihydro-2-naphthyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-3-8-20-14(17)9-13-10(2)15(18)11-6-4-5-7-12(11)16(13)19/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | CEPQZSTVTJSTQA-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C12=C(C=CC=C2)C(C(=C(C1=O)C)CC(OCCC)=O)=O |