| SpectraBase Spectrum ID |
2LsOfmPDQN3 |
| Name |
(1S,3R,10S)-3-Methylzonarene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H26 |
| InChI |
InChI=1S/C16H26/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h9-12,15H,6-8H2,1-5H3/t11-,12+,15-/m0/s1 |
| InChIKey |
PVFGFRSBWRKNDZ-ZOWXZIJZSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201905827 |
| Molecular Weight |
218.384 g/mol |
| Optical Rotation |
[a]D20 = +37.1 (c = 0.14, CH2Cl2) |
| SMILES |
[C@]1(C(=CC=2[C@@](C1)([C@](CCC2C(C)C)(C)[H])[H])C)(C)[H] |
| SPLASH |
splash10-05r1-3920000000-b75db6174a8835faaaa8 |
| Source of Spectrum |
QE-26-SM67-22 |
| Thin-Layer Chromatography |
Rf = 0.71 (Pentane/Et2O, 1/1) |
| Wiley ID |
1858516 |
