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3-Hydroxy-2,4,4-trimethyl-valeric acid methyl ester
SpectraBase Compound ID LGzMA4gndNo
InChI InChI=1S/C9H18O3/c1-6(8(11)12-5)7(10)9(2,3)4/h6-7,10H,1-5H3
InChIKey JTDNDDNQCCLINU-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XcSdDDSRks
Name 3-Hydroxy-2,4,4-trimethyl-valeric acid methyl ester
CAS Registry Number 71699-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-6(8(11)12-5)7(10)9(2,3)4/h6-7,10H,1-5H3
InChIKey JTDNDDNQCCLINU-UHFFFAOYSA-N
Molecular Weight 174.240 g/mol
SMILES OC(C(C(=O)OC)C)C(C)(C)C
SPLASH splash10-052r-9100000000-5ad0e35f025181a85b8f
Source of Spectrum SO-0-898-3
Synonyms 3-Hydroxy-2,4,4-trimethylpentanoic acid methyl ester Methyl 2,4,4-trimethyl-3-oxidanyl-pentanoate Methyl 3-hydroxy-2,4,4-trimethyl-pentanoate
Wiley ID 1541631