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1-[(3R,4R)-2,2-dimethyl-3,4,7-tris(oxidanyl)-3,4-dihydrochromen-6-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(3R,4R)-2,2-dimethyl-3,4,7-tris(oxidanyl)-3,4-dihydrochromen-6-yl]ethanone
SpectraBase Compound ID 8Wd67ZgJAUY
InChI InChI=1S/C13H16O5/c1-6(14)7-4-8-10(5-9(7)15)18-13(2,3)12(17)11(8)16/h4-5,11-12,15-17H,1-3H3/t11-,12-/m1/s1
InChIKey VUPPIEZLVWZMRF-VXGBXAGGSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PmKr4rq1wW
Name 1-[(3R,4R)-2,2-dimethyl-3,4,7-tris(oxidanyl)-3,4-dihydrochromen-6-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-6(14)7-4-8-10(5-9(7)15)18-13(2,3)12(17)11(8)16/h4-5,11-12,15-17H,1-3H3/t11-,12-/m1/s1
InChIKey VUPPIEZLVWZMRF-VXGBXAGGSA-N
Molecular Weight 252.266 g/mol
SMILES O[C@]1([C@](C(Oc2c1cc(c(c2)O)C(=O)C)(C)C)(O)[H])[H]
SPLASH splash10-0006-9400000000-454f7c9e9563f67fcd82
Source of Spectrum KD-15-33-2
Synonyms 1-[(3R,4R)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone 1-[(3R,4R)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethanone 1-[(3R,4R)-3,4,7-trihydroxy-2,2-dimethyl-chroman-6-yl]ethanone
Wiley ID 1636625