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1,3-Dihydroxypropan-2-yl hexadecanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

1,3-Dihydroxypropan-2-yl hexadecanoate
SpectraBase Compound ID C3CZuT37mAf
InChI InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
InChIKey BBNYCLAREVXOSG-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C19H38O4
Exact Mass 330.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EaoyUVzvcPw
Name Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.277009700 u
Formula C19H38O4
InChI InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
InChIKey BBNYCLAREVXOSG-UHFFFAOYSA-N
Molecular Weight 330.509 g/mol
SMILES C(OC(CCCCCCCCCCCCCCC)=O)(CO)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815838