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(2R*,3R*,6S*)-2-(3,3-dimethyl-2-oxobutyl)-6-[(2R*)-2-hydroxy-4-methylpentyl]-3-methyltetrahydropyran
SpectraBase Compound ID 4CcgxPxvFMJ
InChI InChI=1S/C18H34O3/c1-12(2)9-14(19)10-15-8-7-13(3)16(21-15)11-17(20)18(4,5)6/h12-16,19H,7-11H2,1-6H3/t13-,14-,15+,16-/m1/s1
InChIKey TZTAUAQPEUIZTB-LVQVYYBASA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34O3
Exact Mass 298.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BimeB1FFBl
Name (2R*,3R*,6S*)-2-(3,3-dimethyl-2-oxobutyl)-6-[(2R*)-2-hydroxy-4-methylpentyl]-3-methyltetrahydropyran
CAS Registry Number 117270-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O3
InChI InChI=1S/C18H34O3/c1-12(2)9-14(19)10-15-8-7-13(3)16(21-15)11-17(20)18(4,5)6/h12-16,19H,7-11H2,1-6H3/t13-,14-,15+,16-/m1/s1
InChIKey TZTAUAQPEUIZTB-LVQVYYBASA-N
Molecular Weight 298.467 g/mol
SMILES O[C@@](C[C@]1(O[C@](CC(C(C)(C)C)=O)([C@](C)(CC1)[H])[H])[H])(CC(C)C)[H]
SPLASH splash10-0a4i-6930000000-633947caec5b1a6c5f33
Source of Spectrum J-54-107-31
Synonyms 1-{(2R,3R,6S)-6-[(2R)-2-hydroxy-4-methylpentyl]-3-methyltetrahydro-2H-pyran-2-yl}-3,3-dimethyl-2-butanone
Wiley ID 1301231