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2,4,6-Tri-0-ethylhexitol 1,3,5-triacetate(1-D)
SpectraBase Compound ID 4naORHllse3
InChI InChI=1S/C18H32O9/c1-7-22-10-16(26-13(5)20)17(24-9-3)18(27-14(6)21)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 JLRVKHRLHYDILN-WYWBVOCWSA-N
Mol Weight 393.45 g/mol
Molecular Formula C18H312DO9
Exact Mass 393.210909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ctb6pgDlyKz
Name 2,4,6-Tri-0-ethylhexitol 1,3,5-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)17(24-9-3)18(27-14(6)21)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 JLRVKHRLHYDILN-WYWBVOCWSA-N
Molecular Weight 393.451 g/mol
SMILES [C@@]([C@@]([C@](OC(=O)C)(COCC)[H])(OCC)[H])(OC(=O)C)([C@](C(OC(=O)C)[2D])(OCC)[H])[H]
SPLASH splash10-06sl-9800000000-5c21963c518507a5bd7e
Source of Spectrum BS-1-101-0
Wiley ID 1365663