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3-o-Hexadecyl-L-ascorbic acid

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

3-o-Hexadecyl-L-ascorbic acid
SpectraBase Compound ID 8kY1lsUIAbu
InChI InChI=1S/C22H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-21-19(25)22(26)28-20(21)18(24)17-23/h18,20,23-25H,2-17H2,1H3/t18-,20+/m0/s1
InChIKey SQYJRUFNBSYSAI-AZUAARDMSA-N
Mol Weight 400.6 g/mol
Molecular Formula C22H40O6
Exact Mass 400.282489 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GUwJIlJ8dRD
Name 3-o-Hexadecyl-L-ascorbic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.282489002 u
Formula C22H40O6
InChI InChI=1S/C22H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-21-19(25)22(26)28-20(21)18(24)17-23/h18,20,23-25H,2-17H2,1H3/t18-,20+/m0/s1
InChIKey SQYJRUFNBSYSAI-AZUAARDMSA-N
Molecular Weight 400.556 g/mol
SMILES C1(=C([C@]([C@@](O)(CO)[H])([H])OC1=O)OCCCCCCCCCCCCCCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837858