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4-(1-methyl-1H-indol-3-yl)butan-2-one
SpectraBase Compound ID ALkFFuzs8yK
InChI InChI=1S/C13H15NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-6,9H,7-8H2,1-2H3
InChIKey IAHRGKFNNBJULE-UHFFFAOYSA-N
Mol Weight 201.27 g/mol
Molecular Formula C13H15NO
Exact Mass 201.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dPfyDLLCma
Name 4-(1-methyl-1H-indol-3-yl)butan-2-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H15NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-6,9H,7-8H2,1-2H3
InChIKey IAHRGKFNNBJULE-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 201.269 g/mol
Quality 6
Reported Formula C13H15NO
SMILES CN1C=C(C2=C1C=CC=C2)CCC(C)=O
SPLASH splash10-0006-0900000000-92cfed1124c234bf8346
Source of Spectrum QE-24-SM18-3ya' (DOI: 10.1002/chem.201800757)
Wiley ID 1900166