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3,4,6-Tri-0-ethylhexitol 1,2,5-triacetate(1-D)
SpectraBase Compound ID IBu7fyMt5Iv
InChI InChI=1S/C18H32O9/c1-7-22-10-15(26-13(5)20)17(23-8-2)18(24-9-3)16(27-14(6)21)11-25-12(4)19/h15-18H,7-11H2,1-6H3/t15-,16+,17-,18+/m1/s1/i11D/t11?,15-,16+,17-,18+
InChIKey UDQKAAGTKFRQFR-GPEJHDLSSA-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 8SU45hKU3X9
Name 3,4,6-Tri-0-ethylhexitol 1,2,5-triacetate(1-D)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31DO9
InChI InChI=1S/C18H32O9/c1-7-22-10-15(26-13(5)20)17(23-8-2)18(24-9-3)16(27-14(6)21)11-25-12(4)19/h15-18H,7-11H2,1-6H3/t15-,16+,17-,18+/m1/s1/i11D/t11?,15-,16+,17-,18+
InChIKey UDQKAAGTKFRQFR-GPEJHDLSSA-N
Molecular Weight 393.451 g/mol
SMILES [C@]([C@@]([C@](OC(=O)C)(COCC)[H])(OCC)[H])([C@@](OC(=O)C)(C(OC(=O)C)[2D])[H])(OCC)[H]
SPLASH splash10-000f-7910000000-9740411d4aac161fb2e3
Source of Spectrum BS-1-102-0
Wiley ID 1365664