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Cyclohexanecarboxylic acid, 1,3,4,5-tetrakis(acetyloxy)-, methyl ester, [1R-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]-
SpectraBase Compound ID 4APS6yelAni
InChI InChI=1S/C16H22O10/c1-8(17)23-12-6-16(15(21)22-5,26-11(4)20)7-13(24-9(2)18)14(12)25-10(3)19/h12-14H,6-7H2,1-5H3/t12-,13-,14-,16+/m0/s1
InChIKey GPAQAYYXNBJZCL-RZLSGREXSA-N
Mol Weight 374.34 g/mol
Molecular Formula C16H22O10
Exact Mass 374.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rIxz3OVF1F
Name Cyclohexanecarboxylic acid, 1,3,4,5-tetrakis(acetyloxy)-, methyl ester, [1R-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]-
Alternate Name(s) 1,3,4,5-Tetra-O-acetyl-methyl-D-quinate Methyl (3S,5S)-1,3,4,5-tetrakis(acetyloxy)cyclohexanecarboxylate
CAS Registry Number 50605-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O10
InChI InChI=1S/C16H22O10/c1-8(17)23-12-6-16(15(21)22-5,26-11(4)20)7-13(24-9(2)18)14(12)25-10(3)19/h12-14H,6-7H2,1-5H3/t12-,13-,14-,16+/m0/s1
InChIKey GPAQAYYXNBJZCL-RZLSGREXSA-N
Molecular Weight 374.342 g/mol
SMILES [C@]1(C[C@](OC(=O)C)([C@@]([C@](C1)(OC(=O)C)[H])(OC(=O)C)[H])[H])(C(=O)OC)OC(=O)C
SPLASH splash10-0w29-0910000000-84e1590d903149f98825
Source of Spectrum KO-1-46-116
Wiley ID 1356392