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3-Butyryl-1-methyl-indole
SpectraBase Compound ID FRaQTXvDIlN
InChI InChI=1S/C13H15NO/c1-3-6-13(15)11-9-14(2)12-8-5-4-7-10(11)12/h4-5,7-9H,3,6H2,1-2H3
InChIKey GZSMQUHDDQBABU-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 8HcPtQRHgDA
Name 3-Butyryl-1-methyl-indole
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/c1-3-6-13(15)11-9-14(2)12-8-5-4-7-10(11)12/h4-5,7-9H,3,6H2,1-2H3
InChIKey GZSMQUHDDQBABU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 201.269 g/mol
Nominal Mass 201 u
Quality 978
Retention Index 1951
SMILES C=12C(=CN(C2=CC=CC1)C)C(CCC)=O
SPLASH splash10-0a4i-1910000000-353ffe4a57f17309ad57
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Indole,3-butyryl-1-methyl- 1-(1-Methylindol-3-yl)butan-1-one
Technique GC/MS
Wiley ID DD2024_015019