| SpectraBase Spectrum ID |
7NiA8adufoU |
| Name |
Butanoic acid, 2-(benzoylamino)-3-methyl-3-nitro-, methyl ester |
| CAS Registry Number |
121137-17-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16N2O5 |
| InChI |
InChI=1S/C13H16N2O5/c1-13(2,15(18)19)10(12(17)20-3)14-11(16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,16) |
| InChIKey |
XHCDYRBQRLXQST-UHFFFAOYSA-N |
| Molecular Weight |
280.280 g/mol |
| SMILES |
N(C(C(N(=O)=O)(C)C)C(=O)OC)C(=O)c1ccccc1 |
| SPLASH |
splash10-05ai-0590000000-fb0328f26112315b3793 |
| Source of Spectrum |
B-41-1068-4 |
| Synonyms |
Methyl 2-(benzoylamino)-3-methyl-3-nitrobutanoate
N-Benzoyl-3-nitrovaline methyl ester |
| Wiley ID |
1283527 |
