| SpectraBase Spectrum ID |
BG8PNlJocW2 |
| Name |
(3R*,4S*)-3-methoxy-4-(methanesulfonyl)-2,2-dimethylpentyl 3,5-Dinitrobenzoate |
| Alternate Name(s) |
(3R,4S)-3-methoxy-2,2-dimethyl-4-(methylsulfonyl)pentyl 3,5-dinitrobenzoate
3,5-Dinitrobenzoic acid [(3S,4R)-3-methoxy-2,2-dimethyl-4-methylsulfonylpentyl] ester
[(3S,4R)-3-methoxy-2,2-dimethyl-4-methylsulfonylpentyl] 3,5-dinitrobenzoate
[(3S,4R)-3-methoxy-2,2-dimethyl-4-methylsulfonyl-pentyl] 3,5-dinitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22N2O9S |
| InChI |
InChI=1S/C16H22N2O9S/c1-10(28(5,24)25)14(26-4)16(2,3)9-27-15(19)11-6-12(17(20)21)8-13(7-11)18(22)23/h6-8,10,14H,9H2,1-5H3/t10-,14-/m1/s1 |
| InChIKey |
OBTOSDIDKXIPBJ-QMTHXVAHSA-N |
| Molecular Weight |
418.417 g/mol |
| SMILES |
[C@@](S(=O)(=O)C)([C@](C(COC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(C)C)(OC)[H])(C)[H] |
| SPLASH |
splash10-0udi-6900000000-7443ea62a619c80b3190 |
| Source of Spectrum |
J-58-587-7 |
| Wiley ID |
1377012 |
