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

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

ID: Reference12798

Other Names: NAT31-456688

Formula: C17H22ClN3O

Spectral Data

5-Chloro-2-[(3S)-1-(1-methyl-4-piperidinyl)-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 205
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/5/2023 9:52:05 AM
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Identificators

InChI InChI=1S/C17H22ClN3O/c1-20-7-5-14(6-8-20)21-9-4-12(11-21)17-19-15-10-13(18)2-3-16(15)22-17/h2-3,10,12,14H,4-9,11H2,1H3/t12-/m0/s1
InChI Key ICBZCYZSCLQTLI-LBPRGKRZSA-N
Canonical SMILES CN1CCC(CC1)N2CCC(C2)C3=NC4=C(O3)C=CC(=C4)Cl
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Other Names NAT31-456688

In Other Databases

ChemSpider 29849912
PubChem 51137045