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dihydrosphingosine, 3TMS
SpectraBase Compound ID A9HGDE36lt4
InChI InChI=1S/C27H63NO2Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30-33(8,9)10)26(28-31(2,3)4)25-29-32(5,6)7/h26-28H,11-25H2,1-10H3
InChIKey ISRGEZXPUNBQBT-UHFFFAOYSA-N
Mol Weight 518.1 g/mol
Molecular Formula C27H63NO2Si3
Exact Mass 517.41666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0dazPDkOAg
Name dihydrosphingosine, 3TMS
Comments Derivatization type: 3 TMS (mass: 517.417); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000194; Note: The molecular formula of the structure shown is C18H39NO2 - which differs from the formula reported for the mass spectrum (C27H63NO2Si3)
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Formula C27H63NO2Si3
InChI InChI=1S/C27H63NO2Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(30-33(8,9)10)26(28-31(2,3)4)25-29-32(5,6)7/h26-28H,11-25H2,1-10H3
InChIKey ISRGEZXPUNBQBT-UHFFFAOYSA-N
Molecular Weight 518.061 g/mol
SMILES N(C(CO[Si](C)(C)C)C(CCCCCCCCCCCCCCC)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-0udi-0590000000-3ffeabeb1444a15cedb1
Source of Spectrum FM-2019-194-0
Synonyms DL-dihydrosphingosine, 3TMS SAFINGOL, 3TMS Safingol [USAN:INN], 3TMS L-(-)-threo-Sphingnine, 3TMS 2-Aminooctadecane-1,3-diol, 3TMS (-)-threo-Dihydrosphingosine, 3TMS 2-Aminooctadecane-1,3-diol, 3TMS 2,2,8,8-tetramethyl-4-pentadecyl-N-(trimethylsilyl)-3,7-dioxa-2,8-disilanonan-5-amine
Wiley ID 1817885