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2-Chloro-6-[(1E,3E,5E)-6-(p-octyloxyphenyl)-hexa-1,3,5-trienyl]-3-[(1E,3E.5E)-6-(p-trifluoromethylphenyl)hexa-1,3,5-trienyl]pyrazine
SpectraBase Compound ID 4CU5fr0wjAU
InChI InChI=1S/C37H38ClF3N2O/c1-2-3-4-5-10-15-28-44-34-26-22-31(23-27-34)17-11-6-8-13-18-33-29-42-35(36(38)43-33)19-14-9-7-12-16-30-20-24-32(25-21-30)37(39,40)41/h6-9,11-14,16-27,29H,2-5,10,15,28H2,1H3/b8-6+,9-7+,16-12+,17-11+,18-13+,19-14+
InChIKey MPBIFHQWWJXNBW-PJRFNHMVSA-N
Mol Weight 619.2 g/mol
Molecular Formula C37H38ClF3N2O
Exact Mass 618.262476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M1pA1gD4K
Name 2-Chloro-6-[(1E,3E,5E)-6-(p-octyloxyphenyl)-hexa-1,3,5-trienyl]-3-[(1E,3E.5E)-6-(p-trifluoromethylphenyl)hexa-1,3,5-trienyl]pyrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H38ClF3N2O
InChI InChI=1S/C37H38ClF3N2O/c1-2-3-4-5-10-15-28-44-34-26-22-31(23-27-34)17-11-6-8-13-18-33-29-42-35(36(38)43-33)19-14-9-7-12-16-30-20-24-32(25-21-30)37(39,40)41/h6-9,11-14,16-27,29H,2-5,10,15,28H2,1H3/b8-6+,9-7+,16-12+,17-11+,18-13+,19-14+
InChIKey MPBIFHQWWJXNBW-PJRFNHMVSA-N
Molecular Weight 619.172 g/mol
SMILES C(c1ccc(\C=C\C=C\C=C\c2c(nc(cn2)\C=C\C=C\C=C\c2ccc(OCCCCCCCC)cc2)Cl)cc1)(F)(F)F
SPLASH splash10-0596-6920001000-ca6a627ea22ee81c375e
Source of Spectrum F-67-2296-13
Wiley ID 1686051