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2-N-[4'(13'-Amino[2.2]paracyclophanyl)]amino-3-chloro-1,4-naphthoquinone
SpectraBase Compound ID I13yspvZVVL
InChI InChI=1S/C26H21ClN2O2/c27-23-24(26(31)20-4-2-1-3-19(20)25(23)30)29-22-14-16-6-5-15-7-9-17(21(28)13-15)11-12-18(22)10-8-16/h1-4,7-10,13-14,29H,5-6,11-12,28H2
InChIKey WPCNNGFEYUZDAG-UHFFFAOYSA-N
Mol Weight 428.92 g/mol
Molecular Formula C26H21ClN2O2
Exact Mass 428.129156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kqdSDn77oH
Name 2-N-[4'(13'-Amino[2.2]paracyclophanyl)]amino-3-chloro-1,4-naphthoquinone
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21ClN2O2
InChI InChI=1S/C26H21ClN2O2/c27-23-24(26(31)20-4-2-1-3-19(20)25(23)30)29-22-14-16-6-5-15-7-9-17(21(28)13-15)11-12-18(22)10-8-16/h1-4,7-10,13-14,29H,5-6,11-12,28H2
InChIKey WPCNNGFEYUZDAG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.222
Molecular Weight 428.919 g/mol
SMILES Nc1cc2ccc1CCc1ccc(cc1NC1=C(C(c3c(C1=O)cccc3)=O)Cl)CC2
SPLASH splash10-0103-1681900000-35a23919265ee207b79c
Source of Spectrum ARK-2006-198-9
Wiley ID 1871258