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1,3-Cyclobutanedicarboxylic acid, 2-hydroxy-2,4-dimethyl-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.beta.)-
SpectraBase Compound ID AyG94kaY68F
InChI InChI=1S/C10H16O5/c1-5-6(8(11)14-3)10(2,13)7(5)9(12)15-4/h5-7,13H,1-4H3/t5-,6+,7-,10+
InChIKey XIJPHSIXVOTGBR-WUPOKIBASA-N
Mol Weight 216.23 g/mol
Molecular Formula C10H16O5
Exact Mass 216.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyuzbVOTfu7
Name 1,3-Cyclobutanedicarboxylic acid, 2-hydroxy-2,4-dimethyl-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.beta.)-
CAS Registry Number 86554-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O5
InChI InChI=1S/C10H16O5/c1-5-6(8(11)14-3)10(2,13)7(5)9(12)15-4/h5-7,13H,1-4H3/t5-,6+,7-,10+
InChIKey XIJPHSIXVOTGBR-WUPOKIBASA-N
Molecular Weight 216.233 g/mol
SMILES O[C@]1([C@@](C(=O)OC)([C@]([C@]1(C(=O)OC)[H])(C)[H])[H])C
SPLASH splash10-0006-9500000000-71fabf8c1bf7fbf056c8
Source of Spectrum F-39-852-0
Synonyms 2,4-Dimethyldicarboxylate of 1,3-dimethylcyclobutan-1-ol Dimethyl (1R,3S)-2-hydroxy-2,4-dimethyl-1,3-cyclobutanedicarboxylate
Wiley ID 1215167