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2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]carbamate
SpectraBase Compound ID Mj24NSTZd8
InChI InChI=1S/C20H28N4O6/c1-11(2)9-29-19(27)21-13-15(23-5-6-23)18(26)14(16(17(13)25)24-7-8-24)22-20(28)30-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,21,27)(H,22,28)
InChIKey OVACVEGEVSBZGQ-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 90EuPU4CHZx
Name 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-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/c1-11(2)9-29-19(27)21-13-15(23-5-6-23)18(26)14(16(17(13)25)24-7-8-24)22-20(28)30-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,21,27)(H,22,28)
InChIKey OVACVEGEVSBZGQ-UHFFFAOYSA-N
Molecular Weight 420.466 g/mol
SMILES N(C=1C(C(=C(C(C1N1CC1)=O)NC(=O)OCC(C)C)N1CC1)=O)C(=O)OCC(C)C
SPLASH splash10-004i-9000000000-107a317c59f453ef083a
Source of Spectrum SO-0-644-5
Synonyms 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate isobutyl N-[2,5-bis(aziridin-1-yl)-4-(isobutoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate N-[2,5-bis(1-aziridinyl)-4-[[2-methylpropoxy(oxo)methyl]amino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid 2-methylpropyl ester N-[2,5-diethylenimino-4-(isobutoxycarbonylamino)-3,6-diketo-cyclohexa-1,4-dien-1-yl]carbamic acid isobutyl ester
Wiley ID 1540910