| SpectraBase Spectrum ID |
JmeHoE01wBn |
| Name |
(R*,1'S*,4'R*)-(1'-Methyl-2'-methylene-4'-propylcyclobutyl)(4-nitrophenyl)methanol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-4-5-13-10-11(2)16(13,3)15(18)12-6-8-14(9-7-12)17(19)20/h6-9,13,15,18H,2,4-5,10H2,1,3H3/t13-,15-,16-/m1/s1 |
| InChIKey |
QYOXTFFAKRCLLN-FVQBIDKESA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201604585 |
| Molecular Weight |
275.348 g/mol |
| Quality |
193 |
| Reported Formula |
C16H21NO3 |
| SMILES |
O[C@@]([C@]1([C@@](CC1=C)(CCC)[H])C)(C1=CC=C(C=C1)[N+]([O-])=O)[H] |
| SPLASH |
splash10-0zna-8900000000-2be69fa5ba5d261ec34a |
| Sample Comments |
dr = 99:1:0:0 |
| Source of Spectrum |
QE-23-SM22-12l (DOI: 10.1002/chem.201604585) |
| Thin-Layer Chromatography |
0.10 (hexane/EtOAc, 97:3, UV, KMnO4, PAA) |
| Wiley ID |
1903860 |
