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4-Amino-13(2'-cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane
SpectraBase Compound ID EvAEj3iOCR0
InChI InChI=1S/C27H21N3O2/c28-15-24(25-26(31)20-3-1-2-4-21(20)27(25)32)30-23-14-17-6-5-16-7-9-18(22(29)13-16)11-12-19(23)10-8-17/h1-4,7-10,13-14,30H,5-6,11-12,29H2
InChIKey SUWRIOFQWAHSGL-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 EViRgVRIUKZ
Name 4-Amino-13(2'-cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane
Appearance Red needles
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Formula C27H21N3O2
InChI InChI=1S/C27H21N3O2/c28-15-24(25-26(31)20-3-1-2-4-21(20)27(25)32)30-23-14-17-6-5-16-7-9-18(22(29)13-16)11-12-19(23)10-8-17/h1-4,7-10,13-14,30H,5-6,11-12,29H2
InChIKey SUWRIOFQWAHSGL-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 N(c1cc2ccc1CCc1ccc(cc1N)CC2)C(=C1C(c2c(C1=O)cccc2)=O)C#N
SPLASH splash10-00kf-1779100000-939687aea23469e9773f
Source of Spectrum ARK-2006-198-8
Wiley ID 1871257