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1-Butyl-5,6-dimethoxy-3H-indol-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Butyl-5,6-dimethoxy-3H-indol-2-one
SpectraBase Compound ID Ac1IgAqluAD
InChI InChI=1S/C14H19NO3/c1-4-5-6-15-11-9-13(18-3)12(17-2)7-10(11)8-14(15)16/h7,9H,4-6,8H2,1-3H3
InChIKey JNGQWAVKMAZDIS-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2iya4NyFTDd
Name 1-Butyl-5,6-dimethoxy-3H-indol-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.136493473 u
Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-4-5-6-15-11-9-13(18-3)12(17-2)7-10(11)8-14(15)16/h7,9H,4-6,8H2,1-3H3
InChIKey JNGQWAVKMAZDIS-UHFFFAOYSA-N
Molecular Weight 249.310 g/mol
SMILES C1=2N(C(CC2C=C(C(=C1)OC)OC)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96666