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threo-2,4-dihydroxy-2,5,5-trimethyl-hept-6-en-3-yl acetate
SpectraBase Compound ID 8YMBj6nQ9SP
InChI InChI=1S/C12H22O4/c1-7-11(3,4)9(14)10(12(5,6)15)16-8(2)13/h7,9-10,14-15H,1H2,2-6H3/t9-,10-/m1/s1
InChIKey WYWSJTFBSBEUAO-NXEZZACHSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrWrzw4BEjh
Name threo-2,4-dihydroxy-2,5,5-trimethyl-hept-6-en-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-7-11(3,4)9(14)10(12(5,6)15)16-8(2)13/h7,9-10,14-15H,1H2,2-6H3/t9-,10-/m1/s1
InChIKey WYWSJTFBSBEUAO-NXEZZACHSA-N
Literature Reference DOI 10.1002/hlca.19710540711
Molecular Weight 230.304 g/mol
SMILES OC([C@@]([C@@](O)(C(C=C)(C)C)[H])(OC(=O)C)[H])(C)C
SPLASH splash10-0006-9000000000-7163e5cc3181d44f246b
Source of Spectrum H-54-1842-58
Synonyms (3R,4S)-2,4-dihydroxy-2,5,5-trimethylhept-6-en-3-yl acetate
Wiley ID 1796989