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Bromoacetic acid, 4-tetradecyl ester

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Bromoacetic acid, 4-tetradecyl ester
SpectraBase Compound ID 1Nf7HTBJs6y
InChI InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-13-15(12-4-2)19-16(18)14-17/h15H,3-14H2,1-2H3
InChIKey MPLZIIUQQILFRZ-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C16H31BrO2
Exact Mass 334.150743 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BVbOogHclgk
Name Bromoacetic acid, 4-tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.150743236 u
Formula C16H31BrO2
InChI InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-13-15(12-4-2)19-16(18)14-17/h15H,3-14H2,1-2H3
InChIKey MPLZIIUQQILFRZ-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES C(Br)C(=O)OC(CCCCCCCCCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906051