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9,10[1',2']-Benzenoanthracene-1,8,16-tricarboxylic acid, 9,10-dihydro-, trimethyl ester
SpectraBase Compound ID 3lwYUezOAkl
InChI InChI=1S/C26H20O6/c1-30-24(27)16-10-4-7-13-19-14-8-5-11-17(25(28)31-2)21(14)23(20(13)16)22-15(19)9-6-12-18(22)26(29)32-3/h4-12,19,23H,1-3H3
InChIKey PXHZVBRJIBJPRK-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C26H20O6
Exact Mass 428.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNWwDrHQSRP
Name 9,10[1',2']-Benzenoanthracene-1,8,16-tricarboxylic acid, 9,10-dihydro-, trimethyl ester
Alternate Name(s) 1,8,16-Tris(methoxycarbonyl)triptycene Trimethyl pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarboxylate
CAS Registry Number 103259-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20O6
InChI InChI=1S/C26H20O6/c1-30-24(27)16-10-4-7-13-19-14-8-5-11-17(25(28)31-2)21(14)23(20(13)16)22-15(19)9-6-12-18(22)26(29)32-3/h4-12,19,23H,1-3H3
InChIKey PXHZVBRJIBJPRK-UHFFFAOYSA-N
Molecular Weight 428.440 g/mol
SMILES C12c3c(cccc3C(=O)OC)C(c3c1c(C(=O)OC)ccc3)c1c2c(C(=O)OC)ccc1
SPLASH splash10-004i-0439700000-1c6ffd8d200f4681d56b
Source of Spectrum J-51-3313-16
Wiley ID 1380772