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(4R*,5S*)-4-Hydroxy-5-methyl-4-isopropenyl-1-oxacyclohexan-2-one
SpectraBase Compound ID HBbuDGegZge
InChI InChI=1S/C9H14O3/c1-6(2)9(11)4-8(10)12-5-7(9)3/h7,11H,1,4-5H2,2-3H3/t7-,9-/m0/s1
InChIKey ZVCMPQHWSFODLH-CBAPKCEASA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mGK0gbwB3n
Name (4R*,5S*)-4-Hydroxy-5-methyl-4-isopropenyl-1-oxacyclohexan-2-one
CAS Registry Number 135973-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6(2)9(11)4-8(10)12-5-7(9)3/h7,11H,1,4-5H2,2-3H3/t7-,9-/m0/s1
InChIKey ZVCMPQHWSFODLH-CBAPKCEASA-N
Molecular Weight 170.208 g/mol
SMILES O[C@@]1(CC(=O)OC[C@@]1(C)[H])C(=C)C
SPLASH splash10-0ik9-1900000000-29a6a6a4b6560ddbaa2b
Source of Spectrum C-113-8042-2
Synonyms (4R,5S)-4-hydroxy-5-methyl-4-(prop-1-en-2-yl)oxan-2-one
Wiley ID 1166636