| SpectraBase Spectrum ID |
WvpEi0WJHG |
| Name |
(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-3,5-dimethylphenyl Benzoate |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H30O3 |
| InChI |
InChI=1S/C25H30O3/c1-15(2)19-11-12-25(5)23(28-25)22(19)21-17(4)13-16(3)14-20(21)27-24(26)18-9-7-6-8-10-18/h6-10,13-15,19,22-23H,11-12H2,1-5H3/t19-,22+,23+,25-/m1/s1 |
| InChIKey |
NBVSDNSPADSBOW-HXNUEKDGSA-N |
| Instrument Name |
EI-TOF Waters |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800340 |
| Molecular Weight |
378.512 g/mol |
| Reported Formula |
C25H30O3 |
| SMILES |
C1[C@](C(C)C)([C@@](c2c(OC(=O)c3ccccc3)cc(C)cc2C)([C@]2([H])O[C@]2(C)C1)[H])[H] |
| SPLASH |
splash10-08fr-1390000000-8538a4c0769ba7fbb6e6 |
| Sample Comments |
dr = 70:30 |
| Source of Spectrum |
U1-2019-367-2e |
| Thin-Layer Chromatography |
Rf = 0.25 (petroleum ether/EtOAc, 99:1) |
| Wiley ID |
1843640 |
![(M,P)-2-[(1S,2S,3R,6R)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]-3,5-dimethylphenyl Benzoate](/api/spectrum/WvpEi0WJHG/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 Benzoate")
