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Acetic acid, 2-(2-oxo-2,3-dihydro-1H-1-indenyl)-, methyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Acetic acid, 2-(2-oxo-2,3-dihydro-1H-1-indenyl)-, methyl ester
SpectraBase Compound ID 5booVeyKJkZ
InChI InChI=1S/C12H12O3/c1-15-12(14)7-10-9-5-3-2-4-8(9)6-11(10)13/h2-5,10H,6-7H2,1H3
InChIKey QMPURILBMRXKDO-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DPoBpUUp83m
Name Acetic acid, 2-(2-oxo-2,3-dihydro-1H-1-indenyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-15-12(14)7-10-9-5-3-2-4-8(9)6-11(10)13/h2-5,10H,6-7H2,1H3
InChIKey QMPURILBMRXKDO-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES C1=C2CC(=O)C(C2=CC=C1)CC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829296