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1-[2-(1,1-dichloroethyl)-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID Eu5qSAhM3me
InChI InChI=1S/C17H19Cl2N3O3/c1-16(2,3)25-14(24)12-9-21(12)22-13(23)10-7-5-6-8-11(10)20-15(22)17(4,18)19/h5-8,12H,9H2,1-4H3
InChIKey UPVWXBPYZOXWLS-UHFFFAOYSA-N
Mol Weight 384.26 g/mol
Molecular Formula C17H19Cl2N3O3
Exact Mass 383.080347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GV9L8H9bP1
Name 1-[2-(1,1-dichloroethyl)-4-keto-quinazolin-3-yl]ethylenimine-2-carboxylic acid tert-butyl ester
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Formula C17H19Cl2N3O3
InChI InChI=1S/C17H19Cl2N3O3/c1-16(2,3)25-14(24)12-9-21(12)22-13(23)10-7-5-6-8-11(10)20-15(22)17(4,18)19/h5-8,12H,9H2,1-4H3
InChIKey UPVWXBPYZOXWLS-UHFFFAOYSA-N
Molecular Weight 384.263 g/mol
SMILES C1(N(N2C(=Nc3c(C2=O)cccc3)C(Cl)(Cl)C)C1)C(OC(C)(C)C)=O
SPLASH splash10-052f-1190000000-c88fcef064be6391be8a
Source of Spectrum KC-0-776-33
Synonyms 1-[2-(1,1-dichloroethyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid tert-butyl ester tert-Butyl 1-[2-(1,1-dichloroethyl)-4-oxo-quinazolin-3-yl]aziridine-2-carboxylate tert-Butyl 1-[2-[1,1-bis(chloranyl)ethyl]-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate
Wiley ID 828158