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2-Butyl-2-chloro-3-hydroxy-5-methyl-hexanoic acid methyl ester
SpectraBase Compound ID 4bxhIp3L8mD
InChI InChI=1S/C12H23ClO3/c1-5-6-7-12(13,11(15)16-4)10(14)8-9(2)3/h9-10,14H,5-8H2,1-4H3
InChIKey OFDFMGNRPFOGPQ-UHFFFAOYSA-N
Mol Weight 250.77 g/mol
Molecular Formula C12H23ClO3
Exact Mass 250.133572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rM3NCBHLJu
Name 2-Butyl-2-chloro-3-hydroxy-5-methyl-hexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23ClO3
InChI InChI=1S/C12H23ClO3/c1-5-6-7-12(13,11(15)16-4)10(14)8-9(2)3/h9-10,14H,5-8H2,1-4H3
InChIKey OFDFMGNRPFOGPQ-UHFFFAOYSA-N
Molecular Weight 250.766 g/mol
SMILES OC(C(C(=O)OC)(Cl)CCCC)CC(C)C
SPLASH splash10-0w90-0900000000-39271dccf25944e2e594
Source of Spectrum SK-26-4118-65532
Synonyms Methyl 2-butyl-2-chloranyl-5-methyl-3-oxidanyl-hexanoate Methyl 2-butyl-2-chloro-3-hydroxy-5-methyl-hexanoate 2-Butyl-2-chloro-3-hydroxy-5-methylhexanoic acid methyl ester
Wiley ID 867407