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

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

ID: Reference10404

Other Names: Benzothiazole, 2-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]-;
NAT31-456961

Formula: C18H17ClN2S

Spectral Data

2-[(3S)-1-(3-Chlorobenzyl)-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 885
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2021 10:31:18 AM
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Identificators

InChI InChI=1S/C18H17ClN2S/c19-15-5-3-4-13(10-15)11-21-9-8-14(12-21)18-20-16-6-1-2-7-17(16)22-18/h1-7,10,14H,8-9,11-12H2/t14-/m0/s1
InChI Key AOQDTMMRYBJYPQ-AWEZNQCLSA-N
Canonical SMILES C1CN(CC1C2=NC3=CC=CC=C3S2)CC4=CC(=CC=C4)Cl
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Other Names Benzothiazole, 2-[(3S)-1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]-;
NAT31-456961

In Other Databases

ChemSpider 29849973
PubChem 51137072