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6-Bromohexanoic acid, tridecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

6-Bromohexanoic acid, tridecyl ester
SpectraBase Compound ID 3JeLZ8PLfFM
InChI InChI=1S/C19H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-19(21)16-13-12-14-17-20/h2-18H2,1H3
InChIKey VRTPSKBISNTRTO-UHFFFAOYSA-N
Mol Weight 377.4 g/mol
Molecular Formula C19H37BrO2
Exact Mass 376.197693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CHsFZSw8oKN
Name 6-Bromohexanoic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.197693429 u
Formula C19H37BrO2
InChI InChI=1S/C19H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-19(21)16-13-12-14-17-20/h2-18H2,1H3
InChIKey VRTPSKBISNTRTO-UHFFFAOYSA-N
Molecular Weight 377.407 g/mol
SMILES C(CCC(OCCCCCCCCCCCCC)=O)CCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95324