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

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

ID: Reference9692

Other Names: Benzoxazole, 2-[(3S)-1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]-5-methyl-;
NAT31-456732

Formula: C19H18F2N2O

Spectral Data

2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-5-methyl-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 861
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2020 10:08:11 AM
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Identificators

InChI InChI=1S/C19H18F2N2O/c1-12-2-5-18-17(8-12)22-19(24-18)14-6-7-23(11-14)10-13-3-4-15(20)16(21)9-13/h2-5,8-9,14H,6-7,10-11H2,1H3/t14-/m0/s1
InChI Key BVOGJBZCBNCGFE-AWEZNQCLSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC(=C(C=C4)F)F
CAS
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Other Names Benzoxazole, 2-[(3S)-1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]-5-methyl-;
NAT31-456732

In Other Databases

ChemSpider 29849926
PubChem 45784187