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2-Propenoic acid, 3-[1-methyl-2-(3-oxo-1-butenyl)-1H-indol-3-yl]-, methyl ester, (E,E)-
SpectraBase Compound ID LpNlZCCWPAC
InChI InChI=1S/C17H17NO3/c1-12(19)8-10-16-14(9-11-17(20)21-3)13-6-4-5-7-15(13)18(16)2/h4-11H,1-3H3/b10-8+,11-9+
InChIKey JPJKGLQFKDGRKV-GFULKKFKSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JY9zmzS5wk
Name 2-Propenoic acid, 3-[1-methyl-2-(3-oxo-1-butenyl)-1H-indol-3-yl]-, methyl ester, (E,E)-
Alternate Name(s) Methyl (2E)-3-{1-methyl-2-[(1E)-3-oxo-1-butenyl]-1H-indol-3-yl}-2-propenoate Methyl (E,E)-3-[1-methyl-2-(3-oxobut-1-enyl)-1H-indol-3-yl]prop-2-enoate
CAS Registry Number 129866-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-12(19)8-10-16-14(9-11-17(20)21-3)13-6-4-5-7-15(13)18(16)2/h4-11H,1-3H3/b10-8+,11-9+
InChIKey JPJKGLQFKDGRKV-GFULKKFKSA-N
Molecular Weight 283.327 g/mol
SMILES c1([n](c2ccccc2c1\C=C\C(=O)OC)C)\C=C\C(=O)C
SPLASH splash10-053u-0490000000-a107643c09b16535094c
Source of Spectrum H-73-834-2
Wiley ID 1287071