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(2E,4R)-[1,1-2H-1,2-13C]4-Benzyloxy-2-octadecen-1-ol

View entire compound with spectra: 1 MS (GC)

(2E,4R)-[1,1-2H-1,2-13C]4-Benzyloxy-2-octadecen-1-ol
SpectraBase Compound ID 8axXgA9uKIx
InChI InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-25(21-17-22-26)27-23-24-18-14-13-15-19-24/h13-15,17-19,21,25-26H,2-12,16,20,22-23H2,1H3/b21-17+/t25-/m1/s1/i17+1,22+1D2
InChIKey JGNPUJYYTDTUNP-SOOUJTLISA-N
Mol Weight 378.6 g/mol
Molecular Formula C2313C2H40D2O2
Exact Mass 378.337744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUjFv3Iwvb
Name (2E,4R)-[1,1-2H-1,2-13C]4-Benzyloxy-2-octadecen-1-ol
Alternate Name(s) (E,4R)-1,1-dideuterio-4-phenylmethoxy-2-octadecen-1-ol (E,4R)-1,1-dideuterio-4-phenylmethoxyoctadec-2-en-1-ol (E,4R)-4-benzyloxy-1,1-dideuterio-octadec-2-en-1-ol (E,4R)-1,1-dideuterio-4-phenylmethoxy-octadec-2-en-1-ol
Comments Original formula: C23[13C]2H40D2O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-25(21-17-22-26)27-23-24-18-14-13-15-19-24/h13-15,17-19,21,25-26H,2-12,16,20,22-23H2,1H3/b21-17+/t25-/m1/s1/i17+1,22+1D2
InChIKey JGNPUJYYTDTUNP-SOOUJTLISA-N
Molecular Weight 378.606 g/mol
SMILES O[13C](\[13CH]=C\[C@](OCc1ccccc1)(CCCCCCCCCCCCCC)[H])([D])[D]
SPLASH splash10-0006-9400000000-9fdc5eb093013b156e28
Source of Spectrum QC-10-1703-6
Wiley ID 871348