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(E)-methyl 3-(3-butoxy-3-oxoprop-1-en-1-yl)-1H-indole-5-carboxylate
SpectraBase Compound ID 9KBKlWx90iU
InChI InChI=1S/C17H19NO4/c1-3-4-9-22-16(19)8-6-13-11-18-15-7-5-12(10-14(13)15)17(20)21-2/h5-8,10-11,18H,3-4,9H2,1-2H3/b8-6+
InChIKey VBXAGXFAJAYCDN-SOFGYWHQSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XGSUvgB0No
Name (E)-methyl 3-(3-butoxy-3-oxoprop-1-en-1-yl)-1H-indole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-3-4-9-22-16(19)8-6-13-11-18-15-7-5-12(10-14(13)15)17(20)21-2/h5-8,10-11,18H,3-4,9H2,1-2H3/b8-6+
InChIKey VBXAGXFAJAYCDN-SOFGYWHQSA-N
Literature Reference DOI 10.1002/adsc.201201114
Molecular Weight 301.342 g/mol
SMILES [nH]1cc(c2c1ccc(c2)C(OC)=O)\C=C\C(OCCCC)=O
SPLASH splash10-0w2a-2792000000-01d0d7ba045674fbf215
Source of Spectrum ASC-355-1512/SM5-3g
Wiley ID 1762067