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Isopropyl Indol-3-yl-glyoxalate
SpectraBase Compound ID 9IEzTjiGsJR
InChI InChI=1S/C13H13NO3/c1-8(2)17-13(16)12(15)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3
InChIKey QVKZPQKGMHPALI-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHD0FwcLAuG
Name Isopropyl Indol-3-yl-glyoxalate
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 231.089543280 u
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-8(2)17-13(16)12(15)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3
InChIKey QVKZPQKGMHPALI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 231.251 g/mol
Nominal Mass 231 u
Quality 992
Retention Index 2342
SMILES C=12C(C(C(OC(C)C)=O)=O)=CNC2=CC=CC1
SPLASH splash10-0006-3910000000-ba17731d5ab21352d18b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1H-Indol-3-yl)oxo-acetic acid isopropyl ester Isopropyl-1H-indol-3-yl-oxoacetate
Technique GC/MS
Wiley ID DD2024_015835