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3-[4-(Diethylamino)phenyl]-3'-isopropoxy-4,4'-bis(cyclobut-3-ene-1,2-dione)
SpectraBase Compound ID DMjgt4h2ZNB
InChI InChI=1S/C21H21NO5/c1-5-22(6-2)13-9-7-8-12(10-13)14-15(18(24)17(14)23)16-19(25)20(26)21(16)27-11(3)4/h7-11H,5-6H2,1-4H3
InChIKey CMNSSBUGKPKGEC-UHFFFAOYSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfjtkdP2pg2
Name 3-[4-(Diethylamino)phenyl]-3'-isopropoxy-4,4'-bis(cyclobut-3-ene-1,2-dione)
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-5-22(6-2)13-9-7-8-12(10-13)14-15(18(24)17(14)23)16-19(25)20(26)21(16)27-11(3)4/h7-11H,5-6H2,1-4H3
InChIKey CMNSSBUGKPKGEC-UHFFFAOYSA-N
Molecular Weight 367.401 g/mol
SMILES C1(C2=C(c3cc(N(CC)CC)ccc3)C(C2=O)=O)=C(OC(C)C)C(C1=O)=O
SPLASH splash10-03di-0091000000-58f07ed7e2f1a52757fa
Source of Spectrum K-2001-2828-6
Wiley ID 1579956