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1,3,5,7,11,13-Tridecanehexol, 2,4,6-trimethyl-, hexaacetate
SpectraBase Compound ID CCM7zRpVKA1
InChI InChI=1S/C28H46O12/c1-16(15-36-20(5)30)27(39-23(8)33)18(3)28(40-24(9)34)17(2)26(38-22(7)32)12-10-11-25(37-21(6)31)13-14-35-19(4)29/h16-18,25-28H,10-15H2,1-9H3
InChIKey MOELICYQWPBCKQ-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C28H46O12
Exact Mass 574.298927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFz7oAnTFcA
Name 1,3,5,7,11,13-Tridecanehexol, 2,4,6-trimethyl-, hexaacetate
Alternate Name(s) 3,5,7,11,13-pentakis(acetyloxy)-2,4,6-trimethyltridecyl acetate Peracetyl derivative of 1,3,5,7,11,13-hexahydroxy-2,4,6-trimethyltridecane
CAS Registry Number 81875-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O12
InChI InChI=1S/C28H46O12/c1-16(15-36-20(5)30)27(39-23(8)33)18(3)28(40-24(9)34)17(2)26(38-22(7)32)12-10-11-25(37-21(6)31)13-14-35-19(4)29/h16-18,25-28H,10-15H2,1-9H3
InChIKey MOELICYQWPBCKQ-UHFFFAOYSA-N
Molecular Weight 574.664 g/mol
SMILES C(C(C(OC(=O)C)C(COC(=O)C)C)C)(C(C(OC(=O)C)CCCC(OC(=O)C)CCOC(=O)C)C)OC(=O)C
SPLASH splash10-0006-9400000000-5815f9c6a26da3d86794
Source of Spectrum C-104-4140-0
Wiley ID 1408010