| SpectraBase Compound ID | 81UeATMnNXS |
|---|---|
| InChI | InChI=1S/C18H17NO5/c1-4-23-12-7-5-6-11(8-12)17-19-14-10-16(22-3)15(21-2)9-13(14)18(20)24-17/h5-10H,4H2,1-3H3 |
| InChIKey | JJFCFYUUXASIRG-UHFFFAOYSA-N |
| Mol Weight | 327.34 g/mol |
| Molecular Formula | C18H17NO5 |
| Exact Mass | 327.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSzEIR10DO |
|---|---|
| Name | 4H-3,1-Benzoxazin-4-one, 2-(3-ethoxyphenyl)-6,7-dimethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.110672646 u |
| Formula | C18H17NO5 |
| InChI | InChI=1S/C18H17NO5/c1-4-23-12-7-5-6-11(8-12)17-19-14-10-16(22-3)15(21-2)9-13(14)18(20)24-17/h5-10H,4H2,1-3H3 |
| InChIKey | JJFCFYUUXASIRG-UHFFFAOYSA-N |
| Molecular Weight | 327.336 g/mol |
| SMILES | C1=2C(OC(=NC2C=C(OC)C(=C1)OC)C1=CC(OCC)=CC=C1)=O |