5-Chloro-2-[(3S)-1-(3,4-difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

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

ID: Reference10471

Other Names: NAT31-456673

Formula: C18H15ClF2N2O

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 565
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2021 7:14:47 AM
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Identificators

InChI InChI=1S/C18H15ClF2N2O/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 QDBLVVLBBSTXTI-LBPRGKRZSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC(=C(C=C4)F)F
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Other Names NAT31-456673

In Other Databases

PubChem 45784172
ChemSpider 29849906