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7-Methyl-3,4-di-n-propylisoquinolin-1(2H)-one

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

7-Methyl-3,4-di-n-propylisoquinolin-1(2H)-one
SpectraBase Compound ID FvSCtsyJPTW
InChI InChI=1S/C16H21NO/c1-4-6-13-12-9-8-11(3)10-14(12)16(18)17-15(13)7-5-2/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKey ZYNKHQVORJVBDH-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3OGKDYp28MV
Name 7-Methyl-3,4-di-N-propylisoquinolin-1(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.162314299 u
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-4-6-13-12-9-8-11(3)10-14(12)16(18)17-15(13)7-5-2/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKey ZYNKHQVORJVBDH-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES C=1C=C(C=C2C1C(CCC)=C(CCC)NC2=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893553