| SpectraBase Compound ID | LdFdw5VC02C |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c1-12-7-3-6-10-16(12)20-17(11-23-13(2)21)19-15-9-5-4-8-14(15)18(20)22/h3-10H,11H2,1-2H3 |
| InChIKey | WEOHSYXMUZOVHY-UHFFFAOYSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzrFZ7AREdO |
|---|---|
| Name | 2-Acetoxymethyl-2-desmethylmethaqualone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.116092380 u |
| Formula | C18H16N2O3 |
| InChI | InChI=1S/C18H16N2O3/c1-12-7-3-6-10-16(12)20-17(11-23-13(2)21)19-15-9-5-4-8-14(15)18(20)22/h3-10H,11H2,1-2H3 |
| InChIKey | WEOHSYXMUZOVHY-UHFFFAOYSA-N |
| Molecular Weight | 308.337 g/mol |
| SMILES | C1(C2=C(C=CC=C2)N=C(N1C1=C(C=CC=C1)C)COC(C)=O)=O |