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Methyl 6-(hydroxymethyl)-8,12-diphenylbenzo[a]heptalene-7-carboxylate
SpectraBase Compound ID HEk9T0Y7xnR
InChI InChI=1S/C31H24O3/c1-34-31(33)28-24(20-32)19-23-15-8-9-16-27(23)29-25(21-11-4-2-5-12-21)17-10-18-26(30(28)29)22-13-6-3-7-14-22/h2-19,32H,20H2,1H3
InChIKey ALZDLZRETODWRJ-UHFFFAOYSA-N
Mol Weight 444.53 g/mol
Molecular Formula C31H24O3
Exact Mass 444.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fsFaKTNOuX
Name Methyl 6-(hydroxymethyl)-8,12-diphenylbenzo[a]heptalene-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24O3
InChI InChI=1S/C31H24O3/c1-34-31(33)28-24(20-32)19-23-15-8-9-16-27(23)29-25(21-11-4-2-5-12-21)17-10-18-26(30(28)29)22-13-6-3-7-14-22/h2-19,32H,20H2,1H3
InChIKey ALZDLZRETODWRJ-UHFFFAOYSA-N
Molecular Weight 444.530 g/mol
SMILES OCC=1C(=C2C(=C(C=CC=C2c2ccccc2)c2ccccc2)c2c(cccc2)C1)C(=O)OC
SPLASH splash10-00or-0026900000-32761faa3ebe1a0e9694
Source of Spectrum H-78-1459-12
Wiley ID 1386257