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3-(2-Keto-2-methoxy-ethyl)-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester
SpectraBase Compound ID 3yhJhGm9SlE
InChI InChI=1S/C13H14O5/c1-16-11(14)7-9-8-5-3-4-6-10(8)18-12(9)13(15)17-2/h3-6,9,12H,7H2,1-2H3
InChIKey ROLNCUQOCKBSFI-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GOZflo755gp
Name 3-(2-Keto-2-methoxy-ethyl)-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.084123546 u
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-16-11(14)7-9-8-5-3-4-6-10(8)18-12(9)13(15)17-2/h3-6,9,12H,7H2,1-2H3
InChIKey ROLNCUQOCKBSFI-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES C=12OC(C(C1C=CC=C2)CC(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97808