| SpectraBase Spectrum ID |
Bug9T4HrSeD |
| Name |
rac-(1R,4S)-1-iso-Propyl-4,7-dimethyl-6-(nitromethyl)-1,2,3,4-tetrahydronaphthalene |
| Appearance |
Yellow oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.172878983 u |
| Formula |
C16H23NO2 |
| GC Oven Program |
Oven temp 300 oC |
| InChI |
InChI=1S/C16H23NO2/c1-10(2)14-6-5-11(3)15-8-13(9-17(18)19)12(4)7-16(14)15/h7-8,10-11,14H,5-6,9H2,1-4H3/t11-,14+/m0/s1 |
| InChIKey |
PULNPYZWCQJQSG-SMDDNHRTSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200058 |
| Molecular Weight |
261.365 g/mol |
| Quality |
190 |
| SMILES |
C1=2[C@@](C(C)C)(CC[C@](C)(C2C=C(C(C)=C1)C[N+]([O-])=O)[H])[H] |
| SPLASH |
splash10-00xr-0930000000-710e5dbe2ea2e8f02d69 |
| Sample Comments |
dr = 86:14 |
| Source of Spectrum |
K1-2022-SM53-rac-31 (DOI: 10.1002/ejoc.202200058) |
| Thin-Layer Chromatography |
0.3 (SiO2, cHex/ EtOAc, 20:1) |
| Wiley ID |
1898713 |
