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5-Methoxy-3,4-dihydro-1(2H)-isoquinolinone

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

5-Methoxy-3,4-dihydro-1(2H)-isoquinolinone
SpectraBase Compound ID 3zZ1OuxV0hZ
InChI InChI=1S/C10H11NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey OESOLVOZJGIVMY-UHFFFAOYSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUXG31xXvqS
Name 5-Methoxy-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 177.078978596 u
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey OESOLVOZJGIVMY-UHFFFAOYSA-N
Molecular Weight 177.203 g/mol
SMILES C1(C2=C(C(OC)=CC=C2)CCN1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927975