Methyl 2-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1,3-benzoxazole-7-carboxylate

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Systematic / IUPAC Name: Methyl 2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzoxazole-7-carboxylate

ID: Reference10491

Other Names: 7-Benzoxazolecarboxylic acid, 2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]-, methyl ester;
NAT31-473166

Formula: C21H19F3N2O3

Spectral Data

Methyl 2-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1,3-benzoxazole-7-carboxylate 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 646
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/28/2021 7:30:48 AM
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Identificators

InChI InChI=1S/C21H19F3N2O3/c1-28-20(27)16-3-2-4-17-18(16)29-19(25-17)14-9-10-26(12-14)11-13-5-7-15(8-6-13)21(22,23)24/h2-8,14H,9-12H2,1H3/t14-/m0/s1
InChI Key DWYVWHMOLKXAHK-AWEZNQCLSA-N
Canonical SMILES COC(=O)C1=C2C(=CC=C1)N=C(O2)C3CCN(C3)CC4=CC=C(C=C4)C(F)(F)F
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Other Names 7-Benzoxazolecarboxylic acid, 2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]-, methyl ester;
NAT31-473166

In Other Databases

ChemSpider 29850860
PubChem 45784359