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9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 9,10-dihydro-16-methyl-, dimethyl ester
SpectraBase Compound ID Ab3sNruOpXG
InChI InChI=1S/C25H20O4/c1-25-19-13-5-4-8-14(19)20(15-9-6-11-17(21(15)25)23(26)28-2)16-10-7-12-18(22(16)25)24(27)29-3/h4-13,20H,1-3H3/t20-,25+
InChIKey CHUBWEOQVNGTBD-IHRKKFBRSA-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 5FkXjvbFNcS
Name 9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 9,10-dihydro-16-methyl-, dimethyl ester
Alternate Name(s) 1,8-bis(methoxycarbonyl)-16-methyltriptycene Dimethyl 1-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 103259-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O4
InChI InChI=1S/C25H20O4/c1-25-19-13-5-4-8-14(19)20(15-9-6-11-17(21(15)25)23(26)28-2)16-10-7-12-18(22(16)25)24(27)29-3/h4-13,20H,1-3H3/t20-,25+
InChIKey CHUBWEOQVNGTBD-IHRKKFBRSA-N
Molecular Weight 384.431 g/mol
SMILES [C@]12(c3c(cccc3C(=O)OC)[C@@](c3c1cccc3)(c1c2c(C(=O)OC)ccc1)[H])C
SPLASH splash10-000x-0297000000-87b8a1bf4cc91152e5c0
Source of Spectrum J-51-3313-11
Wiley ID 1361836