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2,5-Dichloro-3,6-bis(n-butoxycarbonylamino)-1,4-benzoquinone
SpectraBase Compound ID AIHOpvqlEad
InChI InChI=1S/C16H20Cl2N2O6/c1-3-5-7-25-15(23)19-11-9(17)14(22)12(10(18)13(11)21)20-16(24)26-8-6-4-2/h3-8H2,1-2H3,(H,19,23)(H,20,24)
InChIKey GURPFVUDAVCAII-UHFFFAOYSA-N
Mol Weight 407.25 g/mol
Molecular Formula C16H20Cl2N2O6
Exact Mass 406.069842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWv3usudTYK
Name 2,5-Dichloro-3,6-bis(n-butoxycarbonylamino)-1,4-benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C16H20Cl2N2O6
InChI InChI=1S/C16H20Cl2N2O6/c1-3-5-7-25-15(23)19-11-9(17)14(22)12(10(18)13(11)21)20-16(24)26-8-6-4-2/h3-8H2,1-2H3,(H,19,23)(H,20,24)
InChIKey GURPFVUDAVCAII-UHFFFAOYSA-N
Molecular Weight 407.250 g/mol
SMILES N(C=1C(C(=C(C(C1Cl)=O)NC(=O)OCCCC)Cl)=O)C(=O)OCCCC
SPLASH splash10-004i-9000000000-d2490e4cd2041bf39ad9
Source of Spectrum SO-0-644-4
Synonyms butyl 4-[(butoxycarbonyl)amino]-2,5-dichloro-3,6-dioxo-1,4-cyclohexadien-1-ylcarbamate
Wiley ID 1540916