For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-2-Styryl-[4-(4-heptyloxy)benzoyloxy]-2'-methyl-6,6'-diphenyl-4,4'-bipyrimidine
SpectraBase Compound ID 5f7acnHfp50
InChI InChI=1S/C43H40N4O3/c1-3-4-5-6-13-28-49-36-25-21-35(22-26-36)43(48)50-37-23-18-32(19-24-37)20-27-42-46-39(34-16-11-8-12-17-34)30-41(47-42)40-29-38(44-31(2)45-40)33-14-9-7-10-15-33/h7-12,14-27,29-30H,3-6,13,28H2,1-2H3/b27-20+
InChIKey RBEJEVHXXKJJCA-NHFJDJAPSA-N
Mol Weight 660.8 g/mol
Molecular Formula C43H40N4O3
Exact Mass 660.310041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 44pEXWUeaVT
Name (E)-2-Styryl-[4-(4-heptyloxy)benzoyloxy]-2'-methyl-6,6'-diphenyl-4,4'-bipyrimidine
Alternate Name(s) (E)-[4-(4-(heptyloxy)benzoyloxy)-Styryl]-2'-methyl-6,6'-diphenyl-4,4'-bipyrimidine 4-(2-Methyl-6-phenylpyrimidin-4-yl)-6-phenyl-2-[(E)-2-phenylethenyl]pyrimidin-5-yl 4-(heptan-4-yloxy)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H40N4O3
InChI InChI=1S/C43H40N4O3/c1-3-4-5-6-13-28-49-36-25-21-35(22-26-36)43(48)50-37-23-18-32(19-24-37)20-27-42-46-39(34-16-11-8-12-17-34)30-41(47-42)40-29-38(44-31(2)45-40)33-14-9-7-10-15-33/h7-12,14-27,29-30H,3-6,13,28H2,1-2H3/b27-20+
InChIKey RBEJEVHXXKJJCA-NHFJDJAPSA-N
Molecular Weight 660.818 g/mol
SMILES c1(-c2nc(C)nc(c2)-c2ccccc2)nc(nc(c1)-c1ccccc1)\C=C\c1ccc(OC(c2ccc(cc2)OCCCCCCC)=O)cc1
SPLASH splash10-01b9-0690101000-be97551bbd66f402ab13
Source of Spectrum C3-21-506-7
Wiley ID 879509