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(E)-1-(2,3-Bis(4-bromophenyl)allyl)piperidine
SpectraBase Compound ID FHL2p69iNtA
InChI InChI=1S/C20H21Br2N/c21-19-8-4-16(5-9-19)14-18(15-23-12-2-1-3-13-23)17-6-10-20(22)11-7-17/h4-11,14H,1-3,12-13,15H2/b18-14-
InChIKey YUSDXFQOUMEHAH-JXAWBTAJSA-N
Mol Weight 435.2 g/mol
Molecular Formula C20H21Br2N
Exact Mass 433.004076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnkQpewDy7C
Name (E)-1-(2,3-Bis(4-bromophenyl)allyl)piperidine
Appearance Yellow solid
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Exact Mass 433.004075680 u
Formula C20H21Br2N
InChI InChI=1S/C20H21Br2N/c21-19-8-4-16(5-9-19)14-18(15-23-12-2-1-3-13-23)17-6-10-20(22)11-7-17/h4-11,14H,1-3,12-13,15H2/b18-14-
InChIKey YUSDXFQOUMEHAH-JXAWBTAJSA-N
Instrument Name Thermo Scientific DFS or Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103931
Molecular Weight 435.203 g/mol
Quality 98
Reported Formula C20H21NBr2
SMILES C1(=CC=C(C=C1)Br)\C=C\(CN1CCCCC1)C1=CC=C(C=C1)Br
SPLASH splash10-000b-7010900000-de65a6e3cc88f504f4dd
Source of Spectrum QE-28-SM19-E-12 (DOI: 10.1002/chem.202103931)
Thin-Layer Chromatography 0.20 (Hex/EtOAc/HNEt2, 3:1:0.012)
Wiley ID 1898265