| SpectraBase Compound ID | CO0KbDN89oD |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-9(2)13(15)17-11-5-3-4-6-12(11)18-14(16)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | FOFYIBHNABXHTQ-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANb4Ap1ImuB |
|---|---|
| Name | 1,2-Benzenediol, o-cyclopropanecarbonyl-o'-isobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-9(2)13(15)17-11-5-3-4-6-12(11)18-14(16)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey | FOFYIBHNABXHTQ-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C1CC1)OC(C(C)C)=O |