| SpectraBase Spectrum ID |
5z6k1RjqPrX |
| Name |
(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylic acid |
| Alternate Name(s) |
(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid
(2S)-3-keto-2-methyl-4H-1,4-benzoxazine-2-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H9NO4 |
| InChI |
InChI=1S/C10H9NO4/c1-10(9(13)14)8(12)11-6-4-2-3-5-7(6)15-10/h2-5H,1H3,(H,11,12)(H,13,14)/t10-/m0/s1 |
| InChIKey |
HNDTULADLKGMDH-JTQLQIEISA-N |
| Molecular Weight |
207.185 g/mol |
| SMILES |
N1c2c(O[C@](C(=O)O)(C1=O)C)cccc2 |
| SPLASH |
splash10-03di-0920000000-259849de45516f7ca026 |
| Source of Spectrum |
QC-10-159-5 |
| Wiley ID |
871048 |
