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

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

ID: Reference10982

Other Names: NAT31-456697

Formula: C16H15ClN2OS

Spectral Data

5-Chloro-2-[(3S)-1-(2-thienylmethyl)-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 554
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/28/2021 5:54:02 PM
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Identificators

InChI InChI=1S/C16H15ClN2OS/c17-12-3-4-15-14(8-12)18-16(20-15)11-5-6-19(9-11)10-13-2-1-7-21-13/h1-4,7-8,11H,5-6,9-10H2/t11-/m0/s1
InChI Key NNYYNMPIJVFNPP-NSHDSACASA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=CS4
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Other Names NAT31-456697

In Other Databases

ChemSpider 29849915
PubChem 45784179