| SpectraBase Spectrum ID |
2hd35xj47uA |
| Name |
trans-2-((2-hydroxycyclohexyl)methyl)-N,N-diisopropylbenzamide |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-14(2)21(15(3)4)20(23)18-11-7-5-9-16(18)13-17-10-6-8-12-19(17)22/h5,7,9,11,14-15,17,19,22H,6,8,10,12-13H2,1-4H3/t17-,19+/m0/s1 |
| InChIKey |
NTRBNAYHDWSQRS-PKOBYXMFSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202203807 |
| Quality |
433 |
| Reported Formula |
C20H31NO2 |
| SMILES |
O[C@]1([C@@](CCCC1)(CC1=C(C=CC=C1)C(=O)N(C(C)C)C(C)C)[H])[H] |
| SPLASH |
splash10-0gc0-1920000000-3897258c78cfc16f96c2 |
| Sample Comments |
dr = 2.6:1 |
| Source of Spectrum |
ACI-61-SM68-10ak (DOI: 10.1002/anie.202203807) |
| Wiley ID |
1897779 |
