1-(4-Benzyl-1-piperidinyl)-2-{(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}ethanone

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Systematic / IUPAC Name: 1-(4-Benzylpiperidin-1-yl)-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanone

ID: Reference9411

Other Names: Ethanone, 2-[(3R,4S)-3-[(5-butyl-3-isoxazolyl)methyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperidinyl]-;
NAT14-350014

Formula: C27H39N3O2

Spectral Data

1-(4-Benzyl-1-piperidinyl)-2-{(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}ethanone 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 1094
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:48:10 PM
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Identificators

InChI InChI=1S/C27H39N3O2/c1-2-3-9-26-19-25(29-32-26)17-24-20-28-13-10-23(24)18-27(31)30-14-11-22(12-15-30)16-21-7-5-4-6-8-21/h4-8,19,22-24,28H,2-3,9-18,20H2,1H3/t23-,24-/m0/s1
InChI Key HWQOOSCTZHMBMR-ZEQRLZLVSA-N
Canonical SMILES CCCCC1=CC(=NO1)CC2CNCCC2CC(=O)N3CCC(CC3)CC4=CC=CC=C4
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Other Names Ethanone, 2-[(3R,4S)-3-[(5-butyl-3-isoxazolyl)methyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperidinyl]-;
NAT14-350014

In Other Databases

PubChem 26742991
ChemSpider 21384800