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5-Methoxy-3,3-dimethyl-5-oxopentanoic acid
SpectraBase Compound ID 8MlWvTl2hxb
InChI InChI=1S/C8H14O4/c1-8(2,4-6(9)10)5-7(11)12-3/h4-5H2,1-3H3,(H,9,10)
InChIKey NXCIJRYHLFBLML-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BdQ8PY6bTs
Name 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid
CAS Registry Number 27151-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-8(2,4-6(9)10)5-7(11)12-3/h4-5H2,1-3H3,(H,9,10)
InChIKey NXCIJRYHLFBLML-UHFFFAOYSA-N
Molecular Weight 174.196 g/mol
SMILES OC(=O)CC(C)(C)CC(=O)OC
SPLASH splash10-05fu-9300000000-60aeef912ef6c3e9e6b3
Synonyms 5-keto-5-methoxy-3,3-dimethyl-valeric acid 5-Methoxy-3,3-dimethyl-5-oxidanylidene-pentanoic acid Pentanedioic acid, 3,3-dimethyl-, monomethyl ester
Wiley ID 1485068