| SpectraBase Compound ID | wIBgErEh9e |
|---|---|
| InChI | InChI=1S/C16H10O5/c17-10-2-3-11-12(18)7-14(21-15(11)6-10)9-1-4-13-16(5-9)20-8-19-13/h1-7,17H,8H2 |
| InChIKey | WTJCNOWJGPURDK-UHFFFAOYSA-N |
| Mol Weight | 282.25 g/mol |
| Molecular Formula | C16H10O5 |
| Exact Mass | 282.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pchSwCbRg5 |
|---|---|
| Name | psi-Baptigenin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.052823417 u |
| Formula | C16H10O5 |
| InChI | InChI=1S/C16H10O5/c17-10-2-3-11-12(18)7-14(21-15(11)6-10)9-1-4-13-16(5-9)20-8-19-13/h1-7,17H,8H2 |
| InChIKey | WTJCNOWJGPURDK-UHFFFAOYSA-N |
| Molecular Weight | 282.251 g/mol |
| SMILES | C1(O)=CC=C2C(=C1)OC(C1=CC3=C(C=C1)OCO3)=CC2=O |