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2,5-Dichloro-3,6-bis(n-propoxycarbonylamino)-1,4-benzoquinone
SpectraBase Compound ID Jiop9lHP63c
InChI InChI=1S/C14H16Cl2N2O6/c1-3-5-23-13(21)17-9-7(15)12(20)10(8(16)11(9)19)18-14(22)24-6-4-2/h3-6H2,1-2H3,(H,17,21)(H,18,22)
InChIKey GZNKVOAVTDCGNE-UHFFFAOYSA-N
Mol Weight 379.2 g/mol
Molecular Formula C14H16Cl2N2O6
Exact Mass 378.038542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4CR5bYawIY
Name 2,5-Dichloro-3,6-bis(n-propoxycarbonylamino)-1,4-benzoquinone
Alternate Name(s) propyl 2,5-dichloro-3,6-dioxo-4-[(propoxycarbonyl)amino]-1,4-cyclohexadien-1-ylcarbamate
Comments Less than 3 mono-isotopic peaks
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Formula C14H16Cl2N2O6
InChI InChI=1S/C14H16Cl2N2O6/c1-3-5-23-13(21)17-9-7(15)12(20)10(8(16)11(9)19)18-14(22)24-6-4-2/h3-6H2,1-2H3,(H,17,21)(H,18,22)
InChIKey GZNKVOAVTDCGNE-UHFFFAOYSA-N
Molecular Weight 379.196 g/mol
SMILES N(C=1C(C(=C(C(C1Cl)=O)NC(=O)OCCC)Cl)=O)C(=O)OCCC
SPLASH splash10-0006-9000000000-fc10ec02f61ae350053b
Source of Spectrum SO-0-644-4
Wiley ID 1540917