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1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetramethyl ester, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-
SpectraBase Compound ID 6zgIh0wwpgj
InChI InChI=1S/C16H18O10/c1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2/h5-7,10,17-18H,1-4H3/t5-,6+,7+,10+/m1/s1
InChIKey JUEJDJDJLNTBRF-NUMRIWBASA-N
Mol Weight 370.31 g/mol
Molecular Formula C16H18O10
Exact Mass 370.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OraN1XTgqt
Name 1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetramethyl ester, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-
Alternate Name(s) Tetramethyl (1S,3aR,4S,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate Tetramethyl bicyclo[3.3.0]octane-3,7-dione-2,4,6,8-tetracarboxylate
CAS Registry Number 82416-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O10
InChI InChI=1S/C16H18O10/c1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2/h5-7,10,17-18H,1-4H3/t5-,6+,7+,10+/m1/s1
InChIKey JUEJDJDJLNTBRF-NUMRIWBASA-N
Molecular Weight 370.310 g/mol
SMILES OC=1[C@]([C@@]2(C(=C([C@]([C@@]2(C1C(=O)OC)[H])(C(=O)OC)[H])O)C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0a4r-0069000000-7b323b08ec6316e285bf
Source of Spectrum F-38-69-0
Wiley ID 1354017