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9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 16-chloro-9,10-dihydro-, dimethyl ester
SpectraBase Compound ID DsCvjXjPWuj
InChI InChI=1S/C24H17ClO4/c1-28-23(26)15-9-3-6-12-18-13-7-4-10-16(24(27)29-2)20(13)22(19(12)15)14-8-5-11-17(25)21(14)18/h3-11,18,22H,1-2H3/t18-,22+
InChIKey JKDFYLVICPSHRG-CXGRPWHSSA-N
Mol Weight 404.85 g/mol
Molecular Formula C24H17ClO4
Exact Mass 404.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhykwtPIU5o
Name 9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 16-chloro-9,10-dihydro-, dimethyl ester
CAS Registry Number 103259-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17ClO4
InChI InChI=1S/C24H17ClO4/c1-28-23(26)15-9-3-6-12-18-13-7-4-10-16(24(27)29-2)20(13)22(19(12)15)14-8-5-11-17(25)21(14)18/h3-11,18,22H,1-2H3/t18-,22+
InChIKey JKDFYLVICPSHRG-CXGRPWHSSA-N
Molecular Weight 404.849 g/mol
SMILES [C@]12(c3c(cccc3C(=O)OC)[C@@](c3c1cccc3Cl)(c1c2c(C(=O)OC)ccc1)[H])[H]
SPLASH splash10-0h3m-2279500000-12d1702c35200a03cf1e
Source of Spectrum J-51-3313-13
Synonyms 1,8-bis(methoxycarbonyl)-16-chlorotriptycene Dimethyl 19-chloropentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13-dicarboxylate
Wiley ID 1371382