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dl-2-Bromooctadecanoic acid

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

dl-2-Bromooctadecanoic acid
SpectraBase Compound ID 3h00jYCwxHG
InChI InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKey KRBFFJIZAKABSA-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C18H35BrO2
Exact Mass 362.182043 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JqJ4pPT1Oak
Name dl-2-Bromooctadecanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.182043365 u
Formula C18H35BrO2
InChI InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChIKey KRBFFJIZAKABSA-UHFFFAOYSA-N
Molecular Weight 363.380 g/mol
SMILES OC(C(CCCCCCCCCCCCCCCC)Br)=O
Spectrum/Structure Validation Score (Raman) 0.995463