2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzothiazole

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

ID: Reference10359

Other Names: Benzothiazole, 2-[(3S)-1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]-;
NAT31-456968

Formula: C18H16F2N2S

Spectral Data

2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzothiazole 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 890
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2021 1:41:40 PM
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Identificators

InChI InChI=1S/C18H16F2N2S/c19-14-6-5-12(9-15(14)20)10-22-8-7-13(11-22)18-21-16-3-1-2-4-17(16)23-18/h1-6,9,13H,7-8,10-11H2/t13-/m0/s1
InChI Key IBVMDDUGZXRUNZ-ZDUSSCGKSA-N
Canonical SMILES C1CN(CC1C2=NC3=CC=CC=C3S2)CC4=CC(=C(C=C4)F)F
CAS
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Other Names Benzothiazole, 2-[(3S)-1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]-;
NAT31-456968

In Other Databases

PubChem 51137076
ChemSpider 29849977