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3-Furanacetic acid, .alpha.-chlorotetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, [3.alpha.(S*),4.beta.]-
SpectraBase Compound ID FgLHcyEo3cE
InChI InChI=1S/C10H15ClO4/c1-5-6(7(11)9(13)14-4)8(12)15-10(5,2)3/h5-7H,1-4H3/t5-,6+,7+/m1/s1
InChIKey IVYOIYGBJRRBDG-VQVTYTSYSA-N
Mol Weight 234.68 g/mol
Molecular Formula C10H15ClO4
Exact Mass 234.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NivrCi7Krz
Name 3-Furanacetic acid, .alpha.-chlorotetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, [3.alpha.(S*),4.beta.]-
CAS Registry Number 77647-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15ClO4
InChI InChI=1S/C10H15ClO4/c1-5-6(7(11)9(13)14-4)8(12)15-10(5,2)3/h5-7H,1-4H3/t5-,6+,7+/m1/s1
InChIKey IVYOIYGBJRRBDG-VQVTYTSYSA-N
Molecular Weight 234.679 g/mol
SMILES C1([C@@]([C@@](C)(C(O1)(C)C)[H])([C@@](C(=O)OC)(Cl)[H])[H])=O
SPLASH splash10-03di-0910000000-9c860276cd013f15c07f
Source of Spectrum I-59-298-0
Synonyms Chloro derivative of 3-(methoxycarbonylmethyl)-4,5,5-trimethyldihydrofuran-2-one Methyl (2S)-chloro[(3R,4R)-4,5,5-trimethyl-2-oxotetrahydro-3-furanyl]ethanoate
Wiley ID 1235521