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Stearic acid, 2-hydroxy-1-methylpropyl ester
SpectraBase Compound ID I5GDjBNcpc8
InChI InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21(3)20(2)23/h20-21,23H,4-19H2,1-3H3
InChIKey NTTLZENWAXUMJI-UHFFFAOYSA-N
Mol Weight 356.6 g/mol
Molecular Formula C22H44O3
Exact Mass 356.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62V1N1ybZQ
Name Stearic acid, 2-hydroxy-1-methylpropyl ester
CAS Registry Number 14251-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O3
InChI InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21(3)20(2)23/h20-21,23H,4-19H2,1-3H3
InChIKey NTTLZENWAXUMJI-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES OC(C(OC(CCCCCCCCCCCCCCCCC)=O)C)C
SPLASH splash10-05fu-9100000000-417edf3d1d8b945e0003
Source of Spectrum EP-5003-0-0
Synonyms 2-Hydroxy-1-methylpropyl stearate (2-hydroxy-1-methyl-propyl) octadecanoate 3-Hydroxybutan-2-yl octadecanoate 3-Oxidanylbutan-2-yl octadecanoate Octadecanoic acid 3-hydroxybutan-2-yl ester
Wiley ID 1346108