![2-(6-Ketobenzo[C][2,1]benzoxaphosphorin-6-yl)hexan-2-ol](/api/spectrum/JRitfwpVW5g/structure.png?h=300&w=458 "2-(6-Ketobenzo[C][2,1]benzoxaphosphorin-6-yl)hexan-2-ol")
| SpectraBase Compound ID | BsvfYXDOJR6 |
|---|---|
| InChI | InChI=1S/C18H21O3P/c1-3-4-13-18(2,19)22(20)17-12-8-6-10-15(17)14-9-5-7-11-16(14)21-22/h5-12,19H,3-4,13H2,1-2H3 |
| InChIKey | PVRQDITUCVZFNI-UHFFFAOYSA-N |
| Mol Weight | 316.34 g/mol |
| Molecular Formula | C18H21O3P |
| Exact Mass | 316.122832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRitfwpVW5g |
|---|---|
| Name | 2-(6-Ketobenzo[C][2,1]benzoxaphosphorin-6-yl)hexan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.122831531 u |
| Formula | C18H21O3P |
| InChI | InChI=1S/C18H21O3P/c1-3-4-13-18(2,19)22(20)17-12-8-6-10-15(17)14-9-5-7-11-16(14)21-22/h5-12,19H,3-4,13H2,1-2H3 |
| InChIKey | PVRQDITUCVZFNI-UHFFFAOYSA-N |
| Molecular Weight | 316.337 g/mol |
| SMILES | C1=2OP(C=3C(C1=CC=CC2)=CC=CC3)(C(O)(CCCC)C)=O |