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Hexadecanoic acid 3-bromoprop-2-ynyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Hexadecanoic acid 3-bromoprop-2-ynyl ester
SpectraBase Compound ID Ei15Ig4NixR
InChI InChI=1S/C19H33BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)22-18-15-17-20/h2-14,16,18H2,1H3
InChIKey JQBJDBDGJKFQAH-UHFFFAOYSA-N
Mol Weight 373.4 g/mol
Molecular Formula C19H33BrO2
Exact Mass 372.166393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNrJnkS3BsP
Name Hexadecanoic acid, (3-bromoprop-2-ynyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.166393301 u
Formula C19H33BrO2
InChI InChI=1S/C19H33BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)22-18-15-17-20/h2-14,16,18H2,1H3
InChIKey JQBJDBDGJKFQAH-UHFFFAOYSA-N
Molecular Weight 373.375 g/mol
SMILES C(#CBr)COC(=O)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942871