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2,4-DI-(4-CHLOROPHENYL)-CYCLOBUTYL-[D]-PYRIMIDINE
SpectraBase Compound ID 1IPshUtT7Nk
InChI InChI=1S/C18H12Cl2N2/c19-13-5-1-11(2-6-13)17-15-9-10-16(15)21-18(22-17)12-3-7-14(20)8-4-12/h1-8H,9-10H2
InChIKey ATDJFQVNVMBYKR-UHFFFAOYSA-N
Mol Weight 327.21 g/mol
Molecular Formula C18H12Cl2N2
Exact Mass 326.037754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TAv1SwdHs
Name 2,4-bis(4-chloranylphenyl)-3,5-diazabicyclo[4.2.0]octa-1(6),2,4-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2N2
InChI InChI=1S/C18H12Cl2N2/c19-13-5-1-11(2-6-13)17-15-9-10-16(15)21-18(22-17)12-3-7-14(20)8-4-12/h1-8H,9-10H2
InChIKey ATDJFQVNVMBYKR-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990115)13_1_79
Molecular Weight 327.214 g/mol
SMILES c1(ccc(cc1)-c1nc2c(c(n1)-c1ccc(cc1)Cl)CC2)Cl
SPLASH splash10-0fb9-6009000000-62813d0c63415be71b09
Source of Spectrum RCM-13-80-3
Wiley ID 1837860