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12,7'-Dichloroisoplagiochin D

View entire compound with spectra: 1 MS (GC)

12,7'-Dichloroisoplagiochin D
SpectraBase Compound ID BiExnq9AaHi
InChI InChI=1S/C28H22Cl2O4/c29-23-10-16-2-6-19(27(33)11-16)20-14-24(30)28(34)13-17(20)4-1-15-3-7-25(31)21(9-15)22-12-18(23)5-8-26(22)32/h2-3,5-9,11-14,23,31-34H,1,4,10H2
InChIKey PPARFJUOIKBTCZ-UHFFFAOYSA-N
Mol Weight 493.39 g/mol
Molecular Formula C28H22Cl2O4
Exact Mass 492.089515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67d1XIqvsvw
Name 12,7'-Dichloroisoplagiochin D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22Cl2O4
InChI InChI=1S/C28H22Cl2O4/c29-23-10-16-2-6-19(27(33)11-16)20-14-24(30)28(34)13-17(20)4-1-15-3-7-25(31)21(9-15)22-12-18(23)5-8-26(22)32/h2-3,5-9,11-14,23,31-34H,1,4,10H2
InChIKey PPARFJUOIKBTCZ-UHFFFAOYSA-N
Molecular Weight 493.386 g/mol
SMILES Oc1cc2c(-c3c(cc(CC(c4ccc(c(-c5cc(CC2)ccc5O)c4)O)Cl)cc3)O)cc1Cl
SPLASH splash10-08fr-1090600000-9ac0715eabe20b4d978d
Source of Spectrum F-56-3156-2
Wiley ID 856954