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N,N-Dibenzyl-2-(3-chloropropyl)-1-phenyl-5-(pyridin-2-yl)-1H-pyrrol-3-amine
SpectraBase Compound ID JevAH4g2Z1h
InChI InChI=1S/C32H30ClN3/c33-21-12-20-30-32(35(24-26-13-4-1-5-14-26)25-27-15-6-2-7-16-27)23-31(29-19-10-11-22-34-29)36(30)28-17-8-3-9-18-28/h1-11,13-19,22-23H,12,20-21,24-25H2
InChIKey CHFGUWVJMBMVDO-UHFFFAOYSA-N
Mol Weight 492.1 g/mol
Molecular Formula C32H30ClN3
Exact Mass 491.212826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0Z81yz3zxM
Name N,N-Dibenzyl-2-(3-chloropropyl)-1-phenyl-5-(pyridin-2-yl)-1H-pyrrol-3-amine
Appearance Yellow semi-solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30ClN3
InChI InChI=1S/C32H30ClN3/c33-21-12-20-30-32(35(24-26-13-4-1-5-14-26)25-27-15-6-2-7-16-27)23-31(29-19-10-11-22-34-29)36(30)28-17-8-3-9-18-28/h1-11,13-19,22-23H,12,20-21,24-25H2
InChIKey CHFGUWVJMBMVDO-UHFFFAOYSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900837
Molecular Weight 492.066 g/mol
Reported Formula C32H30(35)ClN3
SMILES c1([n](c(cc1N(Cc1ccccc1)Cc1ccccc1)-c1ccccn1)-c1ccccc1)CCCCl
SPLASH splash10-0076-3176900000-69407b10a3ca2602f1ad
Source of Spectrum ASC-361-SM27-9ra
Thin-Layer Chromatography Rf = 0.36 (hexane/EtOAc, 8:2)
Wiley ID 1838095