| SpectraBase Spectrum ID |
GS24IFVmaeh |
| Name |
Butanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-, ethyl ester, (S)- |
| CAS Registry Number |
79427-05-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14N2O8 |
| InChI |
InChI=1S/C13H14N2O8/c1-3-22-12(16)4-8(2)23-13(17)9-5-10(14(18)19)7-11(6-9)15(20)21/h5-8H,3-4H2,1-2H3/t8-/m0/s1 |
| InChIKey |
RHXFZZLJNVEORX-QMMMGPOBSA-N |
| Molecular Weight |
326.261 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(C(O[C@](CC(=O)OCC)(C)[H])=O)c1 |
| SPLASH |
splash10-00mk-9710000000-e13c58b830c77dde4a91 |
| Source of Spectrum |
H-64-1484-0 |
| Synonyms |
3,5-Dinitrobenzoic acid [(2S)-4-ethoxy-4-oxobutan-2-yl] ester
[(2S)-4-ethoxy-4-oxobutan-2-yl] 3,5-dinitrobenzoate
[(1S)-3-ethoxy-1-methyl-3-oxo-propyl] 3,5-dinitrobenzoate
[(2S)-4-ethoxy-4-oxidanylidene-butan-2-yl] 3,5-dinitrobenzoate |
| Wiley ID |
1324402 |
![Butanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-, ethyl ester, (S)-](/api/spectrum/GS24IFVmaeh/structure.png?h=300&w=458 "Butanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-, ethyl ester, (S)-")
