SpectraBase Compound ID | 1yf0cTQ36p2 |
---|---|
InChI | InChI=1S/C12H9NO4/c1-8(14)16-7-10-12(15)17-11(13-10)9-5-3-2-4-6-9/h2-7H,1H3/b10-7+ |
InChIKey | UYJXKESBZFCWJF-JXMROGBWSA-N |
Mol Weight | 231.21 g/mol |
Molecular Formula | C12H9NO4 |
Exact Mass | 231.053158 g/mol |
SpectraBase Spectrum ID | FXrKuMtJQXW |
---|---|
Name | 4-o-Acetylmethylene-2-phenyl-2-oxazolin-5-one |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 231.053157770 u |
Formula | C12H9NO4 |
InChI | InChI=1S/C12H9NO4/c1-8(14)16-7-10-12(15)17-11(13-10)9-5-3-2-4-6-9/h2-7H,1H3/b10-7+ |
InChIKey | UYJXKESBZFCWJF-JXMROGBWSA-N |
Molecular Weight | 231.207 g/mol |
SMILES | C1(=N\C(C(O1)=O)=C/OC(=O)C)C=1C=CC=CC1 |