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1-Heptyl-3,3a,4,5-tetrahydro-1H-indole-2,6-dione

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

1-Heptyl-3,3a,4,5-tetrahydro-1H-indole-2,6-dione
SpectraBase Compound ID JQIoF1fNmPi
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-16-14-11-13(17)8-7-12(14)10-15(16)18/h11-12H,2-10H2,1H3
InChIKey FIOBLFMZQXVMGM-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DIxicCOSrkk
Name 1-Heptyl-3,3A,4,5-tetrahydro-1H-indole-2,6-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-9-16-14-11-13(17)8-7-12(14)10-15(16)18/h11-12H,2-10H2,1H3
InChIKey FIOBLFMZQXVMGM-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES C1(N(C2=CC(CCC2C1)=O)CCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97846