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5-Bromovaleric acid, 2-tetradecyl ester

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

5-Bromovaleric acid, 2-tetradecyl ester
SpectraBase Compound ID DiETOa5URJa
InChI InChI=1S/C19H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)22-19(21)16-13-14-17-20/h18H,3-17H2,1-2H3
InChIKey KSHYDCLMJWNABI-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 7NIDTBI0Htl
Name 5-Bromovaleric acid, 2-tetradecyl 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/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)22-19(21)16-13-14-17-20/h18H,3-17H2,1-2H3
InChIKey KSHYDCLMJWNABI-UHFFFAOYSA-N
Molecular Weight 377.407 g/mol
SMILES CCCCCCCCCCCCC(OC(CCCCBr)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918532