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6,7-Dimethoxy-2-ethyl-3,4-dihydro-1(2H)-isoquinolinone

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

6,7-Dimethoxy-2-ethyl-3,4-dihydro-1(2H)-isoquinolinone
SpectraBase Compound ID BbYGOfCKMap
InChI InChI=1S/C13H17NO3/c1-4-14-6-5-9-7-11(16-2)12(17-3)8-10(9)13(14)15/h7-8H,4-6H2,1-3H3
InChIKey UUBMEXYWOOFYLX-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6Rr6AL5UeIe
Name 6,7-Dimethoxy-2-ethyl-3,4-dihydro-1(2H)-isoquinolinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-4-14-6-5-9-7-11(16-2)12(17-3)8-10(9)13(14)15/h7-8H,4-6H2,1-3H3
InChIKey UUBMEXYWOOFYLX-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES C1(C2=C(C=C(C(=C2)OC)OC)CCN1CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891628