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N-[2,5-bis(1-aziridinyl)-3,6-dioxo-4-[[oxo(propoxy)methyl]amino]-1-cyclohexa-1,4-dienyl]carbamic acid propyl ester
SpectraBase Compound ID BVqhsTatuja
InChI InChI=1S/C18H24N4O6/c1-3-9-27-17(25)19-11-13(21-5-6-21)16(24)12(20-18(26)28-10-4-2)14(15(11)23)22-7-8-22/h3-10H2,1-2H3,(H,19,25)(H,20,26)
InChIKey NZGZATAQMWPGSL-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C18H24N4O6
Exact Mass 392.169585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOQwtkJX102
Name N-[2,5-bis(1-aziridinyl)-3,6-dioxo-4-[[oxo(propoxy)methyl]amino]-1-cyclohexa-1,4-dienyl]carbamic acid propyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H24N4O6
InChI InChI=1S/C18H24N4O6/c1-3-9-27-17(25)19-11-13(21-5-6-21)16(24)12(20-18(26)28-10-4-2)14(15(11)23)22-7-8-22/h3-10H2,1-2H3,(H,19,25)(H,20,26)
InChIKey NZGZATAQMWPGSL-UHFFFAOYSA-N
Molecular Weight 392.412 g/mol
SMILES N(C=1C(C(=C(C(C1N1CC1)=O)NC(=O)OCCC)N1CC1)=O)C(=O)OCCC
SPLASH splash10-0006-9002000000-a3f26a604eec851c10c9
Source of Spectrum SO-0-644-5
Synonyms N-[2,5-diethylenimino-3,6-diketo-4-(propoxycarbonylamino)cyclohexa-1,4-dien-1-yl]carbamic acid propyl ester propyl N-[2,5-bis(aziridin-1-yl)-3,6-bis(oxidanylidene)-4-(propoxycarbonylamino)cyclohexa-1,4-dien-1-yl]carbamate propyl N-[2,5-bis(aziridin-1-yl)-3,6-dioxo-4-(propoxycarbonylamino)cyclohexa-1,4-dien-1-yl]carbamate
Wiley ID 1540912