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5-Amino-3,4-dihydroisoquinolin-1(2H)-one, N,N'-diacetyl-

View entire compound with spectra: 1 FTIR

5-Amino-3,4-dihydroisoquinolin-1(2H)-one, N,N'-diacetyl-
SpectraBase Compound ID IHJWfzeaKVY
InChI InChI=1S/C13H14N2O3/c1-8(16)14-12-5-3-4-11-10(12)6-7-15(9(2)17)13(11)18/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKey GZFZGMVYQMGDFG-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2wsh25Hy42K
Name 5-Amino-3,4-dihydroisoquinolin-1(2H)-one, N,N'-diacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.100442316 u
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-8(16)14-12-5-3-4-11-10(12)6-7-15(9(2)17)13(11)18/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKey GZFZGMVYQMGDFG-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES C1N(C(C2=C(C1)C(=CC=C2)NC(C)=O)=O)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870832