| SpectraBase Compound ID | 1ukK1aOYxyd |
|---|---|
| InChI | InChI=1S/C8H7NO3/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2/i11D |
| InChIKey | PTSQWRVYIPQDJA-WORMITQPSA-N |
| Mol Weight | 166.15 g/mol |
| Molecular Formula | C8H6DNO3 |
| Exact Mass | 166.04887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LWCXy9MggS6 |
|---|---|
| Name | 3,4-Dihydro-4-deuteroxy-3-oxo-2H-1,4-benzoxazine |
| CAS Registry Number | 54446-79-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6DNO3 |
| InChI | InChI=1S/C8H7NO3/c10-8-5-12-7-4-2-1-3-6(7)9(8)11/h1-4,11H,5H2/i11D |
| InChIKey | PTSQWRVYIPQDJA-WORMITQPSA-N |
| Molecular Weight | 166.154 g/mol |
| SMILES | C1(N(c2c(OC1)cccc2)O[D])=O |
| SPLASH | splash10-00xr-2900000000-bdcd48f662cd387f88fc |
| Source of Spectrum | O-3-112-6 |
| Wiley ID | 14008 |