For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,3,6-Tri-0-ethylhexitol 1,4,5-triacetate(1-D)
SpectraBase Compound ID Kpbag8qJsvu
InChI InChI=1S/C18H32O9/c1-7-22-10-16(26-13(5)20)18(27-14(6)21)17(24-9-3)15(23-8-2)11-25-12(4)19/h15-18H,7-11H2,1-6H3/t15-,16+,17-,18+/m0/s1/i11D/t11?,15-,16+,17-,18+
InChIKey CZIKLKBHOLQISB-LYTQKFJQSA-N
Mol Weight 393.45 g/mol
Molecular Formula C18H312DO9
Exact Mass 393.210909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C5tE0OjiutC
Name 2,3,6-Tri-0-ethylhexitol 1,4,5-triacetate(1-D)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31DO9
InChI InChI=1S/C18H32O9/c1-7-22-10-16(26-13(5)20)18(27-14(6)21)17(24-9-3)15(23-8-2)11-25-12(4)19/h15-18H,7-11H2,1-6H3/t15-,16+,17-,18+/m0/s1/i11D/t11?,15-,16+,17-,18+
InChIKey CZIKLKBHOLQISB-LYTQKFJQSA-N
Molecular Weight 393.451 g/mol
SMILES [C@@]([C@]([C@](C(OC(=O)C)[2D])(OCC)[H])(OCC)[H])([C@](OC(=O)C)(COCC)[H])(OC(=O)C)[H]
SPLASH splash10-001i-4900000000-183f4f42c6bd8f6aa93f
Source of Spectrum BS-1-100-0
Wiley ID 1365662