| SpectraBase Compound ID | E7tJZRFSKwO |
|---|---|
| InChI | InChI=1S/C20H20O4/c1-4-15(13-9-11-14(22-2)12-10-13)18-19(23-3)16-7-5-6-8-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3 |
| InChIKey | JEMZNNMTQVMTQF-UHFFFAOYSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C20H20O4 |
| Exact Mass | 324.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LShf0SoJniG |
|---|---|
| Name | Phenprocoumon-m (ho-) isomer-2 2me P1056 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.136159120 u |
| Formula | C20H20O4 |
| InChI | InChI=1S/C20H20O4/c1-4-15(13-9-11-14(22-2)12-10-13)18-19(23-3)16-7-5-6-8-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3 |
| InChIKey | JEMZNNMTQVMTQF-UHFFFAOYSA-N |
| Molecular Weight | 324.376 g/mol |
| SMILES | C1(=C(C2=CC=CC=C2OC1=O)OC)C(C=1C=CC(=CC1)OC)CC |