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2,12-Dichloroisoplagiochin D
SpectraBase Compound ID L9EOvj0Y5Ez
InChI InChI=1S/C28H22Cl2O4/c29-23-14-20-18(13-27(23)33)6-3-17-10-22(28(34)24(30)11-17)21-9-15(5-8-25(21)31)1-2-16-4-7-19(20)26(32)12-16/h4-5,7-14,31-34H,1-3,6H2
InChIKey LJSXPWWNJOGXBB-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 J83iD0tSqin
Name 2,12-Dichloroisoplagiochin D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22Cl2O4
InChI InChI=1S/C28H22Cl2O4/c29-23-14-20-18(13-27(23)33)6-3-17-10-22(28(34)24(30)11-17)21-9-15(5-8-25(21)31)1-2-16-4-7-19(20)26(32)12-16/h4-5,7-14,31-34H,1-3,6H2
InChIKey LJSXPWWNJOGXBB-UHFFFAOYSA-N
Molecular Weight 493.386 g/mol
SMILES Oc1cc2ccc1-c1c(CCc3cc(c(c(-c4c(ccc(CC2)c4)O)c3)O)Cl)cc(c(c1)Cl)O
SPLASH splash10-0005-0060900000-db85fc1168ec0f36818e
Source of Spectrum F-56-3156-1
Wiley ID 856955