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Methyl 2R-Hydroxydocosanoate
SpectraBase Compound ID D6CajtcBmCp
InChI InChI=1S/C23H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26-2/h22,24H,3-21H2,1-2H3/t22-/m1/s1
InChIKey KUHHQOLYDNMSJW-JOCHJYFZSA-N
Mol Weight 370.6 g/mol
Molecular Formula C23H46O3
Exact Mass 370.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sgPUdvCvcb
Name Methyl 2R-Hydroxydocosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H46O3
InChI InChI=1S/C23H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(25)26-2/h22,24H,3-21H2,1-2H3/t22-/m1/s1
InChIKey KUHHQOLYDNMSJW-JOCHJYFZSA-N
Instrument Name JMS-HX-100
Ionization Type EI
Literature Reference DOI 10.1021/np070095j
Molecular Weight 370.618 g/mol
Optical Rotation [a]D25 = +18.5 (c = 0.08, CHCl3)
Reported Formula C23H46O3
SMILES O[C@](CCCCCCCCCCCCCCCCCCCC)(C(OC)=O)[H]
SPLASH splash10-052e-9401000000-96d30d37e211cb3681d8
Source of Spectrum G4-70-1216-1a
Wiley ID 1874567