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9,10[1',2']-Benzenoanthracene-1-carboxylic acid, 8,13-dicyano-9,10-dihydro-, methyl ester
SpectraBase Compound ID 9FyG6I9KeUw
InChI InChI=1S/C24H14N2O2/c1-28-24(27)18-10-4-9-17-21-15-7-2-6-14(12-26)20(15)23(22(17)18)16-8-3-5-13(11-25)19(16)21/h2-10,21,23H,1H3/t21-,23+/m0/s1
InChIKey NVBQWOABBJPWAD-JTHBVZDNSA-N
Mol Weight 362.39 g/mol
Molecular Formula C24H14N2O2
Exact Mass 362.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEQ1SddXeWd
Name 9,10[1',2']-Benzenoanthracene-1-carboxylic acid, 8,13-dicyano-9,10-dihydro-, methyl ester
CAS Registry Number 103259-18-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H14N2O2
InChI InChI=1S/C24H14N2O2/c1-28-24(27)18-10-4-9-17-21-15-7-2-6-14(12-26)20(15)23(22(17)18)16-8-3-5-13(11-25)19(16)21/h2-10,21,23H,1H3/t21-,23+/m0/s1
InChIKey NVBQWOABBJPWAD-JTHBVZDNSA-N
Molecular Weight 362.388 g/mol
SMILES [C@]12(c3c(cccc3C(=O)OC)[C@@](c3c1cccc3C#N)(c1c2c(C#N)ccc1)[H])[H]
SPLASH splash10-0w29-0109000000-bade052187b3d4a8d7bb
Source of Spectrum J-51-3313-15
Synonyms 1,8-Dicyano-13-(methoxycarbonyl)triptycene Methyl 10,16-dicyanopentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-3-carboxylate
Wiley ID 1349988