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6-[(2'E)-3',7'-dimethyl-5'-oxo-2',6'-octadienyl]-7-hydroxy-5-methoxy-N-(2"-phenylethyl)-1-isoindolinone
SpectraBase Compound ID 4rUf537zw56
InChI InChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
InChIKey ZJTHOPGQZOXEJX-VXLYETTFSA-N
Mol Weight 433.55 g/mol
Molecular Formula C27H31NO4
Exact Mass 433.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZFXLlIzMEt
Name 6-[(2'E)-3',7'-dimethyl-5'-oxo-2',6'-octadienyl]-7-hydroxy-5-methoxy-N-(2"-phenylethyl)-1-isoindolinone
Alternate Name(s) 6-[(2'E)-3',7'-dimethyl-5'-oxo-2',6'-octadienyl]-7-hydroxy-5-methoxy-N-(2''-phenylethyl)-1-isoindolinone 6-[(2E)-3,7-dimethyl-5-oxo-2,6-octadienyl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-1-isoindolinone
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Formula C27H31NO4
InChI InChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
InChIKey ZJTHOPGQZOXEJX-VXLYETTFSA-N
Molecular Weight 433.548 g/mol
SMILES Oc1c2C(N(CCc3ccccc3)Cc2cc(OC)c1C\C=C\(CC(C=C(C)C)=O)C)=O
SPLASH splash10-001l-9104100000-f743c81934509b23c8d4
Source of Spectrum AT-31-376-4
Wiley ID 835730