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2-Propenoic acid, 3-[4-[3-(3-methoxy-3-oxo-1-propenyl)-1H-indol-2-yl]phenyl]-, methyl ester, (E,E)-
SpectraBase Compound ID KLHhBs15ZPO
InChI InChI=1S/C22H19NO4/c1-26-20(24)13-9-15-7-10-16(11-8-15)22-18(12-14-21(25)27-2)17-5-3-4-6-19(17)23-22/h3-14,23H,1-2H3/b13-9+,14-12+
InChIKey JLMLZUJNHFXRNL-IHJNGOQESA-N
Mol Weight 361.4 g/mol
Molecular Formula C22H19NO4
Exact Mass 361.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIfCvSXEdiQ
Name 2-Propenoic acid, 3-[4-[3-(3-methoxy-3-oxo-1-propenyl)-1H-indol-2-yl]phenyl]-, methyl ester, (E,E)-
Alternate Name(s) Methyl (2E)-3-(4-{3-[(1E)-3-methoxy-3-oxo-1-propenyl]-1H-indol-2-yl}phenyl)-2-propenoate Methyl (E,E)-3-{2'-{4''-[2-(methoxycarbonyl)ethenyl]phenyl}-1'h-indol-3'-yl}prop-2-enoate
CAS Registry Number 130284-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO4
InChI InChI=1S/C22H19NO4/c1-26-20(24)13-9-15-7-10-16(11-8-15)22-18(12-14-21(25)27-2)17-5-3-4-6-19(17)23-22/h3-14,23H,1-2H3/b13-9+,14-12+
InChIKey JLMLZUJNHFXRNL-IHJNGOQESA-N
Molecular Weight 361.397 g/mol
SMILES [nH]1c2ccccc2c(c1-c1ccc(\C=C\C(=O)OC)cc1)\C=C\C(=O)OC
SPLASH splash10-03di-0049000000-6cffbddc7d809b4c1114
Source of Spectrum H-73-837-21
Wiley ID 1349067