| SpectraBase Compound ID | LhUrcXriMb7 |
|---|---|
| InChI | InChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H |
| InChIKey | AVYFCSACADRIED-UHFFFAOYSA-N |
| Mol Weight | 412.4 g/mol |
| Molecular Formula | C24H16N2O5 |
| Exact Mass | 412.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWM8oSdyIgg |
|---|---|
| Name | Botryllazine A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.105921618 u |
| Formula | C24H16N2O5 |
| InChI | InChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H |
| InChIKey | AVYFCSACADRIED-UHFFFAOYSA-N |
| Molecular Weight | 412.401 g/mol |
| SMILES | C1(=C(N=CC(=N1)C1=CC=C(C=C1)O)C(C1=CC=C(C=C1)O)=O)C(C=1C=CC(=CC1)O)=O |