| SpectraBase Spectrum ID |
DWHHQWtnCa8 |
| Name |
(3RS,5SR)-2,2-Dimethyl-3-phenylsulfanyltetrahydropyran-5-yl 3,5-dinitrobenzoate |
| Alternate Name(s) |
6,6-Dimethyl-5-(phenylsulfanyl)oxan-3-yl 3,5-dinitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N2O7S |
| InChI |
InChI=1S/C20H20N2O7S/c1-20(2)18(30-17-6-4-3-5-7-17)11-16(12-28-20)29-19(23)13-8-14(21(24)25)10-15(9-13)22(26)27/h3-10,16,18H,11-12H2,1-2H3 |
| InChIKey |
JUFFGQRTLIAFIA-UHFFFAOYSA-N |
| Molecular Weight |
432.447 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(C(OC2CC(Sc3ccccc3)C(OC2)(C)C)=O)c1 |
| SPLASH |
splash10-000j-0910100000-b7d7f7cc7b92122a74f5 |
| Source of Spectrum |
K-2002-2644-30 |
| Wiley ID |
1613251 |
