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5,12-Dioxadibenzo[b,def]chrysene-2,3,9,10-tetrol, 6,13-dihydro-1,8-bis(1-methylethyl)-
SpectraBase Compound ID KpYTdPmebVL
InChI InChI=1S/C28H26O6/c1-11(2)21-15-5-13-9-34-28-18-8-20(30)26(32)22(12(3)4)16(18)6-14-10-33-27(23(13)24(14)28)17(15)7-19(29)25(21)31/h5-8,11-12,29-32H,9-10H2,1-4H3
InChIKey SBGPXOTZKNYWFM-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C28H26O6
Exact Mass 458.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsCXB5dyWA8
Name 5,12-Dioxadibenzo[b,def]chrysene-2,3,9,10-tetrol, 6,13-dihydro-1,8-bis(1-methylethyl)-
Alternate Name(s) 1,8-Diisopropyl-2,9-dimethoxy-6H,13H-5,12-dioxadibenzo[b,i]pyrene-3,10-diol 1,8-Diisopropyl-6,13-dihydrobenzo[7,8]chromeno[5,4,3-cde]benzo[h]chromene-2,3,9,10-tetrol
CAS Registry Number 124895-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O6
InChI InChI=1S/C28H26O6/c1-11(2)21-15-5-13-9-34-28-18-8-20(30)26(32)22(12(3)4)16(18)6-14-10-33-27(23(13)24(14)28)17(15)7-19(29)25(21)31/h5-8,11-12,29-32H,9-10H2,1-4H3
InChIKey SBGPXOTZKNYWFM-UHFFFAOYSA-N
Molecular Weight 458.510 g/mol
SMILES Oc1cc2c3c4-c5c(cc6c(c(c(cc6c5OCc4cc2c(c1O)C(C)C)O)O)C(C)C)CO3
SPLASH splash10-002f-9000000000-42c6532c5b7c59a2cd2b
Source of Spectrum H-72-359-14
Wiley ID 1389943