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3-[4-(Dibutylamino)phenyl]-3'-isopropoxy-4,4'-bis(cyclobut-3-ene-1,2-dione)
SpectraBase Compound ID JgBZ8DUD60A
InChI InChI=1S/C25H29NO5/c1-5-7-12-26(13-8-6-2)17-11-9-10-16(14-17)18-19(22(28)21(18)27)20-23(29)24(30)25(20)31-15(3)4/h9-11,14-15H,5-8,12-13H2,1-4H3
InChIKey PFMRDBXQACZXMR-UHFFFAOYSA-N
Mol Weight 423.51 g/mol
Molecular Formula C25H29NO5
Exact Mass 423.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqJsMZDnoqf
Name 3-[4-(Dibutylamino)phenyl]-3'-isopropoxy-4,4'-bis(cyclobut-3-ene-1,2-dione)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO5
InChI InChI=1S/C25H29NO5/c1-5-7-12-26(13-8-6-2)17-11-9-10-16(14-17)18-19(22(28)21(18)27)20-23(29)24(30)25(20)31-15(3)4/h9-11,14-15H,5-8,12-13H2,1-4H3
InChIKey PFMRDBXQACZXMR-UHFFFAOYSA-N
Molecular Weight 423.509 g/mol
SMILES C1(C2=C(c3cc(N(CCCC)CCCC)ccc3)C(C2=O)=O)=C(OC(C)C)C(C1=O)=O
SPLASH splash10-00di-0009600000-04bbc10b1c105b42d7f0
Source of Spectrum K-2001-2828-6
Wiley ID 1579955