| SpectraBase Compound ID | CIpM95rZT2M |
|---|---|
| InChI | InChI=1S/C15H16O5/c1-15(2,17)14-13(20-14)11-9(18-3)6-4-8-5-7-10(16)19-12(8)11/h4-7,13-14,17H,1-3H3 |
| InChIKey | LXMXGXFDNSURAX-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 | F1NoObdgaIk |
|---|---|
| Name | Isophlojodicarpin |
| 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/c1-15(2,17)14-13(20-14)11-9(18-3)6-4-8-5-7-10(16)19-12(8)11/h4-7,13-14,17H,1-3H3 |
| InChIKey | LXMXGXFDNSURAX-UHFFFAOYSA-N |
| Molecular Weight | 276.288 g/mol |
| SMILES | C1(OC1C(O)(C)C)C=1C=2OC(=O)C=CC2C=CC1OC |