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3-(3-METHYL-1-OXO-2BUTENYL)-1H-INDOLE
SpectraBase Compound ID JxI36MWnc1b
InChI InChI=1S/C13H13NO/c1-9(2)7-13(15)11-8-14-12-6-4-3-5-10(11)12/h3-8,14H,1-2H3
InChIKey PGSPKBQWDJNJLS-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Q3REzbpM2
Name 1-(1H-indol-3-yl)-3-methyl-2-buten-1-one
CAS Registry Number 50615-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-9(2)7-13(15)11-8-14-12-6-4-3-5-10(11)12/h3-8,14H,1-2H3
InChIKey PGSPKBQWDJNJLS-UHFFFAOYSA-N
Molecular Weight 199.253 g/mol
SMILES [nH]1c2c(c(c1)C(C=C(C)C)=O)cccc2
SPLASH splash10-0002-0900000000-0cca675de260980d28ac
Source of Spectrum J-51-2349-12
Synonyms 1-(1H-indol-3-yl)-3-methyl-but-2-en-1-one
Wiley ID 1196886