| SpectraBase Spectrum ID |
3bj5ItC0WEF |
| Name |
(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-3,5-dimethylphenyl 3,5-Dinitrobenzoate |
| Appearance |
Yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28N2O7 |
| InChI |
InChI=1S/C25H28N2O7/c1-13(2)19-6-7-25(5)23(34-25)22(19)21-15(4)8-14(3)9-20(21)33-24(28)16-10-17(26(29)30)12-18(11-16)27(31)32/h8-13,19,22-23H,6-7H2,1-5H3/t19-,22+,23+,25-/m1/s1 |
| InChIKey |
GDXYEUISBSPWMX-HXNUEKDGSA-N |
| Instrument Name |
EI-TOF Waters |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800340 |
| Molecular Weight |
468.506 g/mol |
| Reported Formula |
C25H28N2O7 |
| SMILES |
C1[C@](C(C)C)([C@@](c2c(OC(=O)c3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)cc(C)cc2C)([C@]2([H])O[C@]2(C)C1)[H])[H] |
| SPLASH |
splash10-08mj-0930000000-e7998488eb9e9a86764c |
| Sample Comments |
dr = 60:40 |
| Source of Spectrum |
U1-2019-367-2f |
| Thin-Layer Chromatography |
Rf = 0.38 (petroleum ether/EtOAc, 9:1) |
| Wiley ID |
1843641 |
![(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-3,5-dimethylphenyl 3,5-Dinitrobenzoate](/api/spectrum/3bj5ItC0WEF/structure.png?h=300&w=458 "(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-3,5-dimethylphenyl 3,5-Dinitrobenzoate")
