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butyl N-[2,5-bis(aziridin-1-yl)-4-(butoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate
SpectraBase Compound ID IdMZdEqs2fz
InChI InChI=1S/C20H28N4O6/c1-3-5-11-29-19(27)21-13-15(23-7-8-23)18(26)14(16(17(13)25)24-9-10-24)22-20(28)30-12-6-4-2/h3-12H2,1-2H3,(H,21,27)(H,22,28)
InChIKey ZCYKGHPSPFTSJQ-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C20H28N4O6
Exact Mass 420.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sxLAfvIRFo
Name butyl N-[2,5-bis(aziridin-1-yl)-4-(butoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C20H28N4O6
InChI InChI=1S/C20H28N4O6/c1-3-5-11-29-19(27)21-13-15(23-7-8-23)18(26)14(16(17(13)25)24-9-10-24)22-20(28)30-12-6-4-2/h3-12H2,1-2H3,(H,21,27)(H,22,28)
InChIKey ZCYKGHPSPFTSJQ-UHFFFAOYSA-N
Molecular Weight 420.466 g/mol
SMILES N(C=1C(C(=C(C(C1N1CC1)=O)NC(=O)OCCCC)N1CC1)=O)C(=O)OCCCC
SPLASH splash10-0006-9000000000-3b5a251feb2f0f13c081
Source of Spectrum SO-0-644-5
Synonyms butyl N-[2,5-bis(aziridin-1-yl)-4-(butoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate N-[2,5-bis(1-aziridinyl)-4-[[butoxy(oxo)methyl]amino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid butyl ester N-[4-(butoxycarbonylamino)-2,5-diethylenimino-3,6-diketo-cyclohexa-1,4-dien-1-yl]carbamic acid butyl ester
Wiley ID 1540911