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6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-1H-quinazolin-4-one
SpectraBase Compound ID 81rbuhhwrB8
InChI InChI=1S/C13H14Cl2N4O3/c1-8-16-10-7-12(19(21)22)11(6-9(10)13(20)17-8)18(4-2-14)5-3-15/h6-7H,2-5H2,1H3,(H,16,17,20)
InChIKey GKCGAVBBEQXXTK-UHFFFAOYSA-N
Mol Weight 345.19 g/mol
Molecular Formula C13H14Cl2N4O3
Exact Mass 344.044296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZqpqOVtZre
Name 6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-1H-quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14Cl2N4O3
InChI InChI=1S/C13H14Cl2N4O3/c1-8-16-10-7-12(19(21)22)11(6-9(10)13(20)17-8)18(4-2-14)5-3-15/h6-7H,2-5H2,1H3,(H,16,17,20)
InChIKey GKCGAVBBEQXXTK-UHFFFAOYSA-N
Molecular Weight 345.186 g/mol
SMILES N1c2cc(c(cc2C(N=C1C)=O)N(CCCl)CCCl)N(=O)=O
SPLASH splash10-0002-0191000000-a71c905a8a961666646a
Source of Spectrum E1-38-1239-22
Wiley ID 1598247