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Benzoic acid, 3-benzyloxy-4-fluoro-

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Benzoic acid, 3-benzyloxy-4-fluoro-
SpectraBase Compound ID 8g0zFb4pMJ6
InChI InChI=1S/C14H11FO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey QDPLZEMDUVGSCO-UHFFFAOYSA-N
Mol Weight 246.24 g/mol
Molecular Formula C14H11FO3
Exact Mass 246.069222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID td6GmzB2lK
Name Benzoic acid, 3-benzyloxy-4-fluoro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.069222374 u
Formula C14H11FO3
InChI InChI=1S/C14H11FO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey QDPLZEMDUVGSCO-UHFFFAOYSA-N
Molecular Weight 246.237 g/mol
SMILES C1=C(C=C(C(=C1)F)OCC1=CC=CC=C1)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950704