| SpectraBase Spectrum ID |
ICsu7EKoHAm |
| Name |
(1S,2S,4R,8R)-1,2-dibromo-8-hydroxy-p-menth-9-yl 3',5'-dinitrobenzoate |
| Alternate Name(s) |
(2R)-2-[(1R,3S,4S)-3,4-dibromo-4-methylcyclohexyl]-2-hydroxypropyl 3,5-dinitrobenzoate |
| CAS Registry Number |
106113-31-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20Br2N2O7 |
| InChI |
InChI=1S/C17H20Br2N2O7/c1-16(19)4-3-11(7-14(16)18)17(2,23)9-28-15(22)10-5-12(20(24)25)8-13(6-10)21(26)27/h5-6,8,11,14,23H,3-4,7,9H2,1-2H3/t11-,14+,16+,17+/m1/s1 |
| InChIKey |
ANSSCHDDJLDCMF-UMPQAUOISA-N |
| Molecular Weight |
524.162 g/mol |
| SMILES |
O[C@]([C@]1(C[C@](Br)([C@](CC1)(Br)C)[H])[H])(COC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)C |
| SPLASH |
splash10-0006-9210000000-d495bdd5b5aa420be678 |
| Source of Spectrum |
B-39-28-7 |
| Wiley ID |
1402161 |
