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Tetradecanoic acid, 2-methyl-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 6 MS (GC)

Tetradecanoic acid, 2-methyl-, methyl ester
SpectraBase Compound ID A9j2rfwIRCr
InChI InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18-3/h15H,4-14H2,1-3H3
InChIKey RDUNHBGNJDRGRA-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ILgmHpRZij5
Name Tetradecanoic acid, 2-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.240230268 u
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18-3/h15H,4-14H2,1-3H3
InChIKey RDUNHBGNJDRGRA-UHFFFAOYSA-N
Molecular Weight 256.430 g/mol
SMILES C(CCCCCCCCCCC)C(C(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955389