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(1E,3E,5E)-2-chloro-6-[2-(9-julolidinyl)ethynyl]-3-[6-(p-trifluoromethylphenyl)-hexa-1,3,5-trienyl]pyrazine
SpectraBase Compound ID ElNeN27af2v
InChI InChI=1S/C31H25ClF3N3/c32-30-28(10-4-2-1-3-7-22-11-14-26(15-12-22)31(33,34)35)36-21-27(37-30)16-13-23-19-24-8-5-17-38-18-6-9-25(20-23)29(24)38/h1-4,7,10-12,14-15,19-21H,5-6,8-9,17-18H2/b2-1+,7-3+,10-4+
InChIKey CIFWAJBQFRBMME-BSBFJHQESA-N
Mol Weight 532.01 g/mol
Molecular Formula C31H25ClF3N3
Exact Mass 531.16891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QcLAsbAuG
Name (1E,3E,5E)-2-chloro-6-[2-(9-julolidinyl)ethynyl]-3-[6-(p-trifluoromethylphenyl)-hexa-1,3,5-trienyl]pyrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25ClF3N3
InChI InChI=1S/C31H25ClF3N3/c32-30-28(10-4-2-1-3-7-22-11-14-26(15-12-22)31(33,34)35)36-21-27(37-30)16-13-23-19-24-8-5-17-38-18-6-9-25(20-23)29(24)38/h1-4,7,10-12,14-15,19-21H,5-6,8-9,17-18H2/b2-1+,7-3+,10-4+
InChIKey CIFWAJBQFRBMME-BSBFJHQESA-N
Molecular Weight 532.010 g/mol
SMILES C(c1ccc(\C=C\C=C\C=C\c2c(nc(C#Cc3cc4CCCN5c4c(c3)CCC5)cn2)Cl)cc1)(F)(F)F
SPLASH splash10-0563-6942240000-022b8b7969f148baf2df
Source of Spectrum F-67-2295-7
Wiley ID 1686057