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methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate
SpectraBase Compound ID 83b5Vogmnhy
InChI InChI=1S/C14H16N4O6/c1-23-13(21)15-7-9(17-3-4-17)12(20)8(16-14(22)24-2)10(11(7)19)18-5-6-18/h3-6H2,1-2H3,(H,15,21)(H,16,22)
InChIKey TXIHYKAQJWLHOP-UHFFFAOYSA-N
Mol Weight 336.3 g/mol
Molecular Formula C14H16N4O6
Exact Mass 336.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdcbSdD1om8
Name methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C14H16N4O6
InChI InChI=1S/C14H16N4O6/c1-23-13(21)15-7-9(17-3-4-17)12(20)8(16-14(22)24-2)10(11(7)19)18-5-6-18/h3-6H2,1-2H3,(H,15,21)(H,16,22)
InChIKey TXIHYKAQJWLHOP-UHFFFAOYSA-N
Molecular Weight 336.304 g/mol
SMILES N(C=1C(C(=C(C(C1N1CC1)=O)NC(=O)OC)N1CC1)=O)C(=O)OC
SPLASH splash10-0a4i-9002000000-29960a5c1d609ae38883
Source of Spectrum SO-0-644-5
Synonyms methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate N-[2,5-bis(1-aziridinyl)-4-(methoxycarbonylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid methyl ester N-[4-(carbomethoxyamino)-2,5-diethylenimino-3,6-diketo-cyclohexa-1,4-dien-1-yl]carbamic acid methyl ester
Wiley ID 1540914