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(2R,3R)-3-(4-chlorophenyl)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-methyl-3-oxidanyl-propan-1-one

View entire compound with spectra: 1 MS (GC)

(2R,3R)-3-(4-chlorophenyl)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-methyl-3-oxidanyl-propan-1-one
SpectraBase Compound ID 1X1SY6D5OcT
InChI InChI=1S/C18H23ClO4/c1-12(16(20)13-5-7-14(19)8-6-13)17(21)15-11-22-18(23-15)9-3-2-4-10-18/h5-8,12,15-16,20H,2-4,9-11H2,1H3/t12-,15+,16-/m1/s1
InChIKey WIVYGKUTVHSFQA-UHOFOFEASA-N
Mol Weight 338.83 g/mol
Molecular Formula C18H23ClO4
Exact Mass 338.128487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9mhigVS5PD
Name (2R,3R)-3-(4-chlorophenyl)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-methyl-3-oxidanyl-propan-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClO4
InChI InChI=1S/C18H23ClO4/c1-12(16(20)13-5-7-14(19)8-6-13)17(21)15-11-22-18(23-15)9-3-2-4-10-18/h5-8,12,15-16,20H,2-4,9-11H2,1H3/t12-,15+,16-/m1/s1
InChIKey WIVYGKUTVHSFQA-UHOFOFEASA-N
Molecular Weight 338.831 g/mol
SMILES O[C@]([C@](C([C@]1(OC2(CCCCC2)OC1)[H])=O)(C)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-0006-0900000000-df8c28315b9d9fee434f
Source of Spectrum QC-11-3216-6
Synonyms (2R,3R)-3-(4-chlorophenyl)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-2-methyl-1-propanone (2R,3R)-3-(4-chlorophenyl)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-2-methyl-propan-1-one
Wiley ID 859975