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5-Methyl-3,4-dihydro-1(2H)-isoquinolinone, N-methyl

View entire compound with spectra: 1 FTIR

5-Methyl-3,4-dihydro-1(2H)-isoquinolinone, N-methyl
SpectraBase Compound ID G0RpUSdjGgb
InChI InChI=1S/C11H13NO/c1-8-4-3-5-10-9(8)6-7-12(2)11(10)13/h3-5H,6-7H2,1-2H3
InChIKey FIXGXJRSADSYLJ-UHFFFAOYSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CYAV4XrIr5
Name 5-Methyl-3,4-dihydro-1(2H)-isoquinolinone, N-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 175.099714042 u
Formula C11H13NO
InChI InChI=1S/C11H13NO/c1-8-4-3-5-10-9(8)6-7-12(2)11(10)13/h3-5H,6-7H2,1-2H3
InChIKey FIXGXJRSADSYLJ-UHFFFAOYSA-N
Molecular Weight 175.231 g/mol
SMILES C1(N(CCC2=C1C=CC=C2C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810988