Systematic / IUPAC Name: 2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
ID: Reference9983
Other Names:
1,3,4-Oxadiazole, 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-[(4-fluorophenoxy)methyl]-;
NAT31-461070
Formula: C21H20FN3O4
2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 309 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/15/2020 10:13:08 AM |
InChI | InChI=1S/C21H20FN3O4/c22-16-2-4-17(5-3-16)26-12-20-23-24-21(29-20)15-7-8-25(11-15)10-14-1-6-18-19(9-14)28-13-27-18/h1-6,9,15H,7-8,10-13H2/t15-/m0/s1 |
InChI Key | WLDLDPVJUQHYGW-HNNXBMFYSA-N |
Canonical SMILES | C1CN(CC1C2=NN=C(O2)COC3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5 |
CAS | |
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Other Names |
1,3,4-Oxadiazole, 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-[(4-fluorophenoxy)methyl]-; NAT31-461070 |