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Methyl 7,7-dimethoxy-6,6-dimethyl-5-hydroxy-2-heptenoate
SpectraBase Compound ID G2zHZ7XYuLn
InChI InChI=1S/C12H22O5/c1-12(2,11(16-4)17-5)9(13)7-6-8-10(14)15-3/h6,8-9,11,13H,7H2,1-5H3/b8-6+
InChIKey QPQAOUAWADTYRP-SOFGYWHQSA-N
Mol Weight 246.3 g/mol
Molecular Formula C12H22O5
Exact Mass 246.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RgcrxdNHkL
Name Methyl 7,7-dimethoxy-6,6-dimethyl-5-hydroxy-2-heptenoate
CAS Registry Number 92186-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O5
InChI InChI=1S/C12H22O5/c1-12(2,11(16-4)17-5)9(13)7-6-8-10(14)15-3/h6,8-9,11,13H,7H2,1-5H3/b8-6+
InChIKey QPQAOUAWADTYRP-SOFGYWHQSA-N
Molecular Weight 246.303 g/mol
SMILES OC(C(C(OC)OC)(C)C)C\C=C\C(=O)OC
SPLASH splash10-0f79-9400000000-d69491c4ea0a14318fa6
Source of Spectrum J-49-4428-0
Synonyms Methyl (2E)-5-hydroxy-7,7-dimethoxy-6,6-dimethyl-2-heptenoate
Wiley ID 1248690