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2,4,6-Tris[(4-tert-butylphenyl)ethynyl]-5-chloropyrimidine

View entire compound with spectra: 1 MS (GC)

2,4,6-Tris[(4-tert-butylphenyl)ethynyl]-5-chloropyrimidine
SpectraBase Compound ID 29lXXVWj8fU
InChI InChI=1S/C40H39ClN2/c1-38(2,3)31-19-10-28(11-20-31)16-25-34-37(41)35(26-17-29-12-21-32(22-13-29)39(4,5)6)43-36(42-34)27-18-30-14-23-33(24-15-30)40(7,8)9/h10-15,19-24H,1-9H3
InChIKey BFGXOSMIBMDVJM-UHFFFAOYSA-N
Mol Weight 583.2 g/mol
Molecular Formula C40H39ClN2
Exact Mass 582.280177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3354lhb2XDR
Name 2,4,6-Tris[(4-tert-butylphenyl)ethynyl]-5-chloropyrimidine
Alternate Name(s) 2,4,6-tris[2-(4-tert-butylphenyl)ethynyl]-5-chloropyrimidine 2,4,6-tris[2-(4-tert-butylphenyl)ethynyl]-5-chloranyl-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H39ClN2
InChI InChI=1S/C40H39ClN2/c1-38(2,3)31-19-10-28(11-20-31)16-25-34-37(41)35(26-17-29-12-21-32(22-13-29)39(4,5)6)43-36(42-34)27-18-30-14-23-33(24-15-30)40(7,8)9/h10-15,19-24H,1-9H3
InChIKey BFGXOSMIBMDVJM-UHFFFAOYSA-N
Molecular Weight 583.219 g/mol
SMILES C(c1nc(C#Cc2ccc(C(C)(C)C)cc2)nc(C#Cc2ccc(C(C)(C)C)cc2)c1Cl)#Cc1ccc(C(C)(C)C)cc1
SPLASH splash10-0fsi-0000090000-6ed1a10d72651d901aae
Source of Spectrum U1-2011-2091-4a
Wiley ID 1665563