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2-N-[4'(13'-Amino[2.2]paracyclophanyl)]amino-3-cyano-1,4-naphthoquinone
SpectraBase Compound ID LAc5bqpSLUZ
InChI InChI=1S/C27H21N3O2/c28-15-22-25(27(32)21-4-2-1-3-20(21)26(22)31)30-24-14-17-6-5-16-7-9-18(23(29)13-16)11-12-19(24)10-8-17/h1-4,7-10,13-14,30H,5-6,11-12,29H2
InChIKey BQEIUWXCRVHWFJ-UHFFFAOYSA-N
Mol Weight 419.48 g/mol
Molecular Formula C27H21N3O2
Exact Mass 419.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6aPoaJDy2B
Name 2-N-[4'(13'-Amino[2.2]paracyclophanyl)]amino-3-cyano-1,4-naphthoquinone
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O2
InChI InChI=1S/C27H21N3O2/c28-15-22-25(27(32)21-4-2-1-3-20(21)26(22)31)30-24-14-17-6-5-16-7-9-18(23(29)13-16)11-12-19(24)10-8-17/h1-4,7-10,13-14,30H,5-6,11-12,29H2
InChIKey BQEIUWXCRVHWFJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.222
Molecular Weight 419.484 g/mol
SMILES Nc1cc2ccc1CCc1ccc(cc1NC1=C(C(c3c(C1=O)cccc3)=O)C#N)CC2
SPLASH splash10-00xu-0892100000-b71baa04efbaa358e0c1
Source of Spectrum ARK-2006-199-11
Wiley ID 1871253