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Bromoacetic acid, 2-pentadecyl ester

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Bromoacetic acid, 2-pentadecyl ester
SpectraBase Compound ID EJQ2GtTmUPc
InChI InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-17(19)15-18/h16H,3-15H2,1-2H3
InChIKey YWIHESIZRKNLLM-UHFFFAOYSA-N
Mol Weight 349.4 g/mol
Molecular Formula C17H33BrO2
Exact Mass 348.166393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JvdDjKC4DGL
Name Bromoacetic acid, 2-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.166393301 u
Formula C17H33BrO2
InChI InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-17(19)15-18/h16H,3-15H2,1-2H3
InChIKey YWIHESIZRKNLLM-UHFFFAOYSA-N
Molecular Weight 349.353 g/mol
SMILES C(Br)C(=O)OC(CCCCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881156