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2-(2-Ethyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid

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2-(2-Ethyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SpectraBase Compound ID 3ryKfXc5dqZ
InChI InChI=1S/C12H14O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,10H,2,6-7H2,1H3,(H,13,14)
InChIKey MYQXHLQMZLTSDB-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID He1sJxwsOZu
Name 2-(2-Ethyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-10-7-9-5-8(6-12(13)14)3-4-11(9)15-10/h3-5,10H,2,6-7H2,1H3,(H,13,14)
InChIKey MYQXHLQMZLTSDB-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C=12OC(CC2=CC(=CC1)CC(=O)O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828448