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4-[4-butyl-2-[4-butyl-5-[4-(N-phenylanilino)phenyl]thiazol-2-yl]thiazol-5-yl]-N,N-diphenyl-aniline
SpectraBase Compound ID KoLDqfw63Pf
InChI InChI=1S/C50H46N4S2/c1-3-5-27-45-47(37-29-33-43(34-30-37)53(39-19-11-7-12-20-39)40-21-13-8-14-22-40)55-49(51-45)50-52-46(28-6-4-2)48(56-50)38-31-35-44(36-32-38)54(41-23-15-9-16-24-41)42-25-17-10-18-26-42/h7-26,29-36H,3-6,27-28H2,1-2H3
InChIKey HZGFHLQIEVPLSA-UHFFFAOYSA-N
Mol Weight 767.1 g/mol
Molecular Formula C50H46N4S2
Exact Mass 766.31639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UUC2hZFZ7h
Name 4-[4-butyl-2-[4-butyl-5-[4-(N-phenylanilino)phenyl]thiazol-2-yl]thiazol-5-yl]-N,N-diphenyl-aniline
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 766.316389845 u
Formula C50H46N4S2
InChI InChI=1S/C50H46N4S2/c1-3-5-27-45-47(37-29-33-43(34-30-37)53(39-19-11-7-12-20-39)40-21-13-8-14-22-40)55-49(51-45)50-52-46(28-6-4-2)48(56-50)38-31-35-44(36-32-38)54(41-23-15-9-16-24-41)42-25-17-10-18-26-42/h7-26,29-36H,3-6,27-28H2,1-2H3
InChIKey HZGFHLQIEVPLSA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302706t
Molecular Weight 767.066 g/mol
Quality 11
SMILES C=1(SC(=NC1CCCC)C=1SC(=C(N1)CCCC)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-014i-0400000900-ef047d929bfda93f9429
Source of Spectrum JOC-78-SM21-2TPA2TZ (DOI: 10.1021/jo302706t)
Wiley ID 1912383