(1R,2S,3R,4R)-4-(4-Methoxyphenyl)-3-{[3-(trifluoromethyl)benzyl]amino}-1,2-cyclopentanediol
11313
Reference
(1R,2S,3R,4R)-4-(4-Methoxyphenyl)-3-{[3-(trifluoromethyl)benzyl]amino}-1,2-cyclopentanediol Structure
Systematic / IUPAC Name: (1R,2S,3R,4R)-4-(4-Methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
ID: Reference11313
Other Names: NAT38-539566
Formula: C20H22F3NO3
Spectral Data
(1R,2S,3R,4R)-4-(4-Methoxyphenyl)-3-{[3-(trifluoromethyl)benzyl]amino}-1,2-cyclopentanediol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1355 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/25/2022 9:18:11 AM |
Identificators
| InChI | InChI=1S/C20H22F3NO3/c1-27-15-7-5-13(6-8-15)16-10-17(25)19(26)18(16)24-11-12-3-2-4-14(9-12)20(21,22)23/h2-9,16-19,24-26H,10-11H2,1H3/t16-,17-,18-,19-/m1/s1 |
| InChI Key | YZAGYGFGECBJBH-NCXUSEDFSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2CC(C(C2NCC3=CC(=CC=C3)C(F)(F)F)O)O |
| CAS | |
| Splash | |
| Other Names | NAT38-539566 |