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4-(1H-Indol-3-yl)butan-2-one
SpectraBase Compound ID 1hiHJRp5pa9
InChI InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
InChIKey ZJCUUXGLZWBCIL-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATIcZv8dTY2
Name 4-(1H-Indol-3-yl)butan-2-one
Appearance Yellow oil or foam
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.099714042 u
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
InChIKey ZJCUUXGLZWBCIL-UHFFFAOYSA-N
Instrument Name Finnigan Mat 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801846
Molecular Weight 187.242 g/mol
Quality 138
Reported Formula C12H13NO
SMILES N1C=C(C2=C1C=CC=C2)CCC(=O)C
SPLASH splash10-014l-3900000000-20acc089a7f2e944cd7f
Source of Spectrum ACI-57-SM5-4b (DOI: 10.1002/anie.201801846)
Wiley ID 1890924