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9,10[1',2']-Benzenoanthracene-1,8,13-tricarboxylic acid, 9,10-dihydro-
SpectraBase Compound ID 56FDhGxxvS1
InChI InChI=1S/C23H14O6/c24-21(25)10-7-8-11-16(9-10)17-12-3-1-5-14(22(26)27)18(12)20(11)19-13(17)4-2-6-15(19)23(28)29/h1-9,17,20H,(H,24,25)(H,26,27)(H,28,29)/t17-,20+
InChIKey WZXDWOCTHQNXMV-MSEWRSJXSA-N
Mol Weight 386.36 g/mol
Molecular Formula C23H14O6
Exact Mass 386.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVxeKaJv8NJ
Name 9,10[1',2']-Benzenoanthracene-1,8,13-tricarboxylic acid, 9,10-dihydro-
Alternate Name(s) Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,11,16-tricarboxylic acid Triptycene-1,8,13-tricarboxylic acid
CAS Registry Number 103259-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14O6
InChI InChI=1S/C23H14O6/c24-21(25)10-7-8-11-16(9-10)17-12-3-1-5-14(22(26)27)18(12)20(11)19-13(17)4-2-6-15(19)23(28)29/h1-9,17,20H,(H,24,25)(H,26,27)(H,28,29)/t17-,20+
InChIKey WZXDWOCTHQNXMV-MSEWRSJXSA-N
Molecular Weight 386.359 g/mol
SMILES OC(c1cccc2c1[C@@]1(c3c([C@]2(c2c1ccc(C(=O)O)c2)[H])cccc3C(=O)O)[H])=O
SPLASH splash10-001i-9024000000-ddcde4e8584e4c369893
Source of Spectrum J-51-3314-17
Wiley ID 1362775