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Bromoacetic acid, 3-tridecyl ester

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Bromoacetic acid, 3-tridecyl ester
SpectraBase Compound ID F1X6ogBda38
InChI InChI=1S/C15H29BrO2/c1-3-5-6-7-8-9-10-11-12-14(4-2)18-15(17)13-16/h14H,3-13H2,1-2H3
InChIKey WJQRDOICRPAVTR-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C15H29BrO2
Exact Mass 320.135093 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4iQOm2vN39U
Name Bromoacetic acid, 3-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.135093172 u
Formula C15H29BrO2
InChI InChI=1S/C15H29BrO2/c1-3-5-6-7-8-9-10-11-12-14(4-2)18-15(17)13-16/h14H,3-13H2,1-2H3
InChIKey WJQRDOICRPAVTR-UHFFFAOYSA-N
Molecular Weight 321.299 g/mol
SMILES C(Br)C(OC(CCCCCCCCCC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935016