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1-Benzyl-5-(2-hydroxy-4-oxopent-2-en-3-yl)-2-methoxy-3,4-diphenylpyrrole
SpectraBase Compound ID EmcVkvCz9Tb
InChI InChI=1S/C29H27NO3/c1-20(31)25(21(2)32)28-26(23-15-9-5-10-16-23)27(24-17-11-6-12-18-24)29(33-3)30(28)19-22-13-7-4-8-14-22/h4-18,31H,19H2,1-3H3/b25-20+
InChIKey WZRRSTAAVXXJBD-LKUDQCMESA-N
Mol Weight 437.54 g/mol
Molecular Formula C29H27NO3
Exact Mass 437.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzBnVdk2gS8
Name 1-Benzyl-5-(2-hydroxy-4-oxopent-2-en-3-yl)-2-methoxy-3,4-diphenylpyrrole
Alternate Name(s) (3Z)-3-(1-benzyl-5-methoxy-3,4-diphenyl-1H-pyrrol-2-yl)-4-hydroxy-3-penten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27NO3
InChI InChI=1S/C29H27NO3/c1-20(31)25(21(2)32)28-26(23-15-9-5-10-16-23)27(24-17-11-6-12-18-24)29(33-3)30(28)19-22-13-7-4-8-14-22/h4-18,31H,19H2,1-3H3/b25-20+
InChIKey WZRRSTAAVXXJBD-LKUDQCMESA-N
Molecular Weight 437.539 g/mol
SMILES O\C(C)=C\(c1[n](c(c(c1-c1ccccc1)-c1ccccc1)OC)Cc1ccccc1)C(C)=O
SPLASH splash10-001i-9100300000-c5609ca3048eb162a7b5
Source of Spectrum SO-0-621-7
Wiley ID 1539481