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6-Benzoxazolamine, 2-[4-[2-[4-[5,7-bis(1,1-dimethylpropyl)-2-benzoxazolyl]phenyl]ethenyl]phenyl]-
SpectraBase Compound ID AVkg4tcsWSA
InChI InChI=1S/C38H39N3O2/c1-7-37(3,4)28-21-30(38(5,6)8-2)34-32(22-28)41-36(43-34)27-17-13-25(14-18-27)10-9-24-11-15-26(16-12-24)35-40-31-20-19-29(39)23-33(31)42-35/h9-23H,7-8,39H2,1-6H3/b10-9+
InChIKey BAHCCUXIKAPFIC-MDZDMXLPSA-N
Mol Weight 569.7 g/mol
Molecular Formula C38H39N3O2
Exact Mass 569.304228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOs8Dgd7vB0
Name 6-Benzoxazolamine, 2-[4-[2-[4-[5,7-bis(1,1-dimethylpropyl)-2-benzoxazolyl]phenyl]ethenyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.304227506 u
Formula C38H39N3O2
InChI InChI=1S/C38H39N3O2/c1-7-37(3,4)28-21-30(38(5,6)8-2)34-32(22-28)41-36(43-34)27-17-13-25(14-18-27)10-9-24-11-15-26(16-12-24)35-40-31-20-19-29(39)23-33(31)42-35/h9-23H,7-8,39H2,1-6H3/b10-9+
InChIKey BAHCCUXIKAPFIC-MDZDMXLPSA-N
Molecular Weight 569.749 g/mol
SMILES CCC(C)(C)C1=CC(=C2OC(=NC2=C1)C1=CC=C(\C=C\C2=CC=C(C=C2)C2=NC=3C=CC(N)=CC3O2)C=C1)C(C)(C)CC