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9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 9,10-dihydro-13-methyl-, dimethyl ester
SpectraBase Compound ID Lc0su00bVTD
InChI InChI=1S/C25H20O4/c1-25-17-11-5-4-8-14(17)22(20-15(23(26)28-2)9-6-12-18(20)25)21-16(24(27)29-3)10-7-13-19(21)25/h4-13,22H,1-3H3/t22-,25+
InChIKey YJEQTMYNWRZNGS-WZJNIGMMSA-N
Mol Weight 384.43 g/mol
Molecular Formula C25H20O4
Exact Mass 384.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ICREEmHxfT
Name 9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 9,10-dihydro-13-methyl-, dimethyl ester
Alternate Name(s) 1,8-bis(methoxycarbonyl-13-methyltriptycene Dimethyl 8-methylpentacyclo[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
CAS Registry Number 103259-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O4
InChI InChI=1S/C25H20O4/c1-25-17-11-5-4-8-14(17)22(20-15(23(26)28-2)9-6-12-18(20)25)21-16(24(27)29-3)10-7-13-19(21)25/h4-13,22H,1-3H3/t22-,25+
InChIKey YJEQTMYNWRZNGS-WZJNIGMMSA-N
Molecular Weight 384.431 g/mol
SMILES [C@]12(c3c(c(C(=O)OC)ccc3)[C@@](c3c1cccc3)(c1c2cccc1C(=O)OC)[H])C
SPLASH splash10-0f8c-0289000000-b1bed08485f3b1ee4e33
Source of Spectrum J-51-3313-11
Wiley ID 1361837