N-{(1R,2S,3R,5R)-2,3-Dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
10856
Reference
N-{(1R,2S,3R,5R)-2,3-Dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide Structure
Systematic / IUPAC Name: N-[(1R,2S,3R,5R)-2,3-Dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
ID: Reference10856
Other Names: NAT38-539088
Formula: C21H20F3NO5
Spectral Data
N-{(1R,2S,3R,5R)-2,3-Dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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 | 1415 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/16/2021 10:56:13 AM |
Identificators
| InChI | InChI=1S/C21H20F3NO5/c22-21(23,24)13-4-1-11(2-5-13)14-10-15(26)19(27)18(14)25-20(28)12-3-6-16-17(9-12)30-8-7-29-16/h1-6,9,14-15,18-19,26-27H,7-8,10H2,(H,25,28)/t14-,15-,18-,19-/m1/s1 |
| InChI Key | HNCQMINSENONOM-OHDICMOHSA-N |
| Canonical SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3C(CC(C3O)O)C4=CC=C(C=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT38-539088 |