2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-5-fluoro-1,3-benzoxazole

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Systematic / IUPAC Name: 2-[(3S)-1-[(3,4-Difluorophenyl)methyl]pyrrolidin-3-yl]-5-fluoro-1,3-benzoxazole

ID: Reference12224

Other Names: NAT31-458148

Formula: C18H15F3N2O

Spectral Data

2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-5-fluoro-1,3-benzoxazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 840
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 2:20:59 PM
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Identificators

InChI InChI=1S/C18H15F3N2O/c19-13-2-4-17-16(8-13)22-18(24-17)12-5-6-23(10-12)9-11-1-3-14(20)15(21)7-11/h1-4,7-8,12H,5-6,9-10H2/t12-/m0/s1
InChI Key RYSXPHMUGNAKMZ-LBPRGKRZSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)F)CC4=CC(=C(C=C4)F)F
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Other Names NAT31-458148

In Other Databases

ChemSpider 29850172
PubChem 45784340