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1-Allyl-3,6-dimethylindole-4,7-dione
SpectraBase Compound ID 85VgiR3NIjt
InChI InChI=1S/C13H13NO2/c1-4-5-14-7-9(3)11-10(15)6-8(2)13(16)12(11)14/h4,6-7H,1,5H2,2-3H3
InChIKey PMNQVPBJGHMOAE-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Fg4xysfsVF
Name 1-Allyl-3,6-dimethylindole-4,7-dione
Alternate Name(s) 1-Allyl-3,6-dimethyl-1H-indole-4,7-dione
CAS Registry Number 98217-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-4-5-14-7-9(3)11-10(15)6-8(2)13(16)12(11)14/h4,6-7H,1,5H2,2-3H3
InChIKey PMNQVPBJGHMOAE-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES c12c(c(C)c[n]2CC=C)C(=O)C=C(C1=O)C
SPLASH splash10-0gb9-0390000000-687c02850e3d225923dc
Source of Spectrum J-50-4288-23
Wiley ID 1214661