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3-Pentanoylindole
SpectraBase Compound ID 3JH6rqJ0LCr
InChI InChI=1S/C13H15NO/c1-2-3-8-13(15)11-9-14-12-7-5-4-6-10(11)12/h4-7,9,14H,2-3,8H2,1H3
InChIKey DDVLTSIVNJLTEY-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 DoQXntgDZxI
Name 3-Pentanoylindole
Classification Pharmaceutical drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 201.115364106 u
Formula C13H15NO
InChI InChI=1S/C13H15NO/c1-2-3-8-13(15)11-9-14-12-7-5-4-6-10(11)12/h4-7,9,14H,2-3,8H2,1H3
InChIKey DDVLTSIVNJLTEY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 201.269 g/mol
Nominal Mass 201 u
Quality 982
Retention Index 2124
SMILES C=12C(=CNC2=CC=CC1)C(CCCC)=O
SPLASH splash10-0006-1910000000-916666c1c3f4f1b503fa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Indole,3-pentanoyl 1-(1H-Indol-3-yl)-1-pentanone
Technique GC/MS
Wiley ID DD2024_015014