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1-(1H-indol-3-yl)pentan-3-one
SpectraBase Compound ID IGZ5Pt9Mccg
InChI InChI=1S/C13H15NO/c1-2-11(15)8-7-10-9-14-13-6-4-3-5-12(10)13/h3-6,9,14H,2,7-8H2,1H3
InChIKey NCUGUDNXAKJLLP-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 8PdEr80Yfyl
Name 1-(1H-indol-3-yl)pentan-3-one
Appearance Colorless crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.115364106 u
Formula C13H15NO
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C13H15NO/c1-2-11(15)8-7-10-9-14-13-6-4-3-5-12(10)13/h3-6,9,14H,2,7-8H2,1H3
InChIKey NCUGUDNXAKJLLP-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 201.269 g/mol
Quality 47
SMILES N1C=C(C2=C1C=CC=C2)CCC(CC)=O
SPLASH splash10-001i-0920000000-0a1c2db73573e0628955
Source of Spectrum QE-28-SM100-3ca (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.32 (nHex/Et2O, 8:2)
Wiley ID 1902378