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8H-Anthra[9,1-bc]benz[e]oxepin-8,14(12bH)-dione, 12-(2,3-dimethylphenyl)-1-methyl-
SpectraBase Compound ID LmTqNKklBXG
InChI InChI=1S/C30H22O3/c1-16-8-4-10-19(18(16)3)20-12-6-14-23-26(20)29-27-22(13-7-15-24(27)28(23)31)21-11-5-9-17(2)25(21)30(32)33-29/h4-15,29H,1-3H3
InChIKey YVSRCDPTTWPQBL-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C30H22O3
Exact Mass 430.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeUR4IE0eof
Name 8H-Anthra[9,1-bc]benz[e]oxepin-8,14(12bH)-dione, 12-(2,3-dimethylphenyl)-1-methyl-
CAS Registry Number 100367-14-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O3
InChI InChI=1S/C30H22O3/c1-16-8-4-10-19(18(16)3)20-12-6-14-23-26(20)29-27-22(13-7-15-24(27)28(23)31)21-11-5-9-17(2)25(21)30(32)33-29/h4-15,29H,1-3H3
InChIKey YVSRCDPTTWPQBL-UHFFFAOYSA-N
Molecular Weight 430.503 g/mol
SMILES c12C3c4c(-c5c(c(C)ccc5)C)cccc4C(c1cccc2-c1c(c(C)ccc1)C(O3)=O)=O
SPLASH splash10-01qa-6004900000-c19239cc4d3e07475105
Source of Spectrum J-51-927-13
Synonyms 12-(2,3-dimethylphenyl)-1-methyl-8H-anthra[9,1-cd][2]benzoxepin-8,14(12bH)-dione 9-(2',3'-Dimethyl-phenyl)-1-(3''-methyl-phenyl)-5-oxo-10,2''-lactone-10-hydro-anthracene
Wiley ID 1381849