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Acetic acid, 1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl ester

View entire compound with spectra: 1 FTIR

Acetic acid, 1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl ester
SpectraBase Compound ID ECOWr0c4ugA
InChI InChI=1S/C13H15NO3/c1-9(15)14-7-3-4-11-5-6-12(8-13(11)14)17-10(2)16/h5-6,8H,3-4,7H2,1-2H3
InChIKey HFFYTOGGQLYHCZ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 29JdWgrJwo3
Name Acetic acid, 1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-9(15)14-7-3-4-11-5-6-12(8-13(11)14)17-10(2)16/h5-6,8H,3-4,7H2,1-2H3
InChIKey HFFYTOGGQLYHCZ-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C12=C(N(CCC2)C(C)=O)C=C(C=C1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939982