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Hexanedioic acid, 2-(acetyloxy)-2,3,4-trimethyl-5-methylene-, [2R-(2R*,3R*,4S*)]-
SpectraBase Compound ID Bxeb5Tn0c2j
InChI InChI=1S/C12H18O6/c1-6(7(2)10(14)15)8(3)12(5,11(16)17)18-9(4)13/h6,8H,2H2,1,3-5H3,(H,14,15)(H,16,17)/t6-,8-,12-/m1/s1
InChIKey AQMZEHUHMNDSNT-SLOVDRIHSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R8v3IqfYtf
Name Hexanedioic acid, 2-(acetyloxy)-2,3,4-trimethyl-5-methylene-, [2R-(2R*,3R*,4S*)]-
Alternate Name(s) (2R,3R,4S)-2-(acetyloxy)-2,3,4-trimethyl-5-methylenehexanedioic acid 2-Acetoxy-5-methylene-2,3,4-trimethylhexandioic acid
CAS Registry Number 62787-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-6(7(2)10(14)15)8(3)12(5,11(16)17)18-9(4)13/h6,8H,2H2,1,3-5H3,(H,14,15)(H,16,17)/t6-,8-,12-/m1/s1
InChIKey AQMZEHUHMNDSNT-SLOVDRIHSA-N
Molecular Weight 258.270 g/mol
SMILES OC(C([C@]([C@]([C@](C(=O)O)(OC(=O)C)C)(C)[H])(C)[H])=C)=O
SPLASH splash10-0f6x-7910000000-bb4fda8d45bd09a10d45
Source of Spectrum K-110-485-0
Wiley ID 1261405