| SpectraBase Spectrum ID |
670uGej4dRU |
| Name |
(2S)-2-(2,4-Dinitroanilino)-4-methyl-valeric acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.111735273 u |
| Formula |
C13H17N3O6 |
| InChI |
InChI=1S/C13H17N3O6/c1-8(2)6-11(13(17)22-3)14-10-5-4-9(15(18)19)7-12(10)16(20)21/h4-5,7-8,11,14H,6H2,1-3H3/t11-/m0/s1 |
| InChIKey |
UQPMCWKMIOEENR-NSHDSACASA-N |
| Molecular Weight |
311.294 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC=C1N[C@](C(=O)OC)(CC(C)C)[H] |
