| SpectraBase Spectrum ID |
I3j7O0TIOUE |
| Name |
1,3-Dioxane-4-methanol, 2,2-dimethyl-, 3,5-dinitrobenzoate, (S)- |
| CAS Registry Number |
85287-66-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O8 |
| InChI |
InChI=1S/C14H16N2O8/c1-14(2)23-4-3-12(24-14)8-22-13(17)9-5-10(15(18)19)7-11(6-9)16(20)21/h5-7,12H,3-4,8H2,1-2H3/t12-/m0/s1 |
| InChIKey |
BYOHNYDKOTWPBO-LBPRGKRZSA-N |
| Molecular Weight |
340.288 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@]1(OC(C)(C)OCC1)[H])=O |
| SPLASH |
splash10-0005-7904000000-7fdd12910b3fcc9aa7da |
| Source of Spectrum |
J-51-5119-13 |
| Synonyms |
[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]methyl 3,5-dinitrobenzoate |
| Wiley ID |
1334855 |
