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3-[2-(chloromethyl)-1-aziridinyl]-2-propan-2-yl-4-quinazolinone
SpectraBase Compound ID Lwvjc8Zhmxl
InChI InChI=1S/C14H16ClN3O/c1-9(2)13-16-12-6-4-3-5-11(12)14(19)18(13)17-8-10(17)7-15/h3-6,9-10H,7-8H2,1-2H3/t10-,17?/m0/s1
InChIKey UGDWQVPIPRFRBF-YOZOHBORSA-N
Mol Weight 277.75 g/mol
Molecular Formula C14H16ClN3O
Exact Mass 277.09819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ay3NBpMUisM
Name 3-[2-(chloromethyl)-1-aziridinyl]-2-propan-2-yl-4-quinazolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClN3O
InChI InChI=1S/C14H16ClN3O/c1-9(2)13-16-12-6-4-3-5-11(12)14(19)18(13)17-8-10(17)7-15/h3-6,9-10H,7-8H2,1-2H3/t10-,17?/m0/s1
InChIKey UGDWQVPIPRFRBF-YOZOHBORSA-N
Molecular Weight 277.755 g/mol
SMILES [C@@]1(N(N2C(=Nc3c(C2=O)cccc3)C(C)C)C1)(CCl)[H]
SPLASH splash10-009w-2930000000-e76f53c243631b9a2214
Source of Spectrum KC-0-586-15
Synonyms 3-[2-(chloromethyl)aziridin-1-yl]-2-isopropyl-quinazolin-4-one 3-[2-(chloromethyl)aziridin-1-yl]-2-propan-2-yl-quinazolin-4-one 3-[2-(chloromethyl)ethylenimin-1-yl]-2-isopropyl-quinazolin-4-one
Wiley ID 824295