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(+)-Calopin
SpectraBase Compound ID KFarsl0I1RG
InChI InChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7?,9?,12-/m0/s1
InChIKey BUYWZUSDDLWZNM-FMDDCXKFSA-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 2XOWqt1wXo
Name (+)-Calopin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7?,9?,12-/m0/s1
InChIKey BUYWZUSDDLWZNM-FMDDCXKFSA-N
Molecular Weight 252.266 g/mol
SMILES Oc1c(ccc(c1O)C1[C@@](C(OCC1C)=O)(O)[H])C
SPLASH splash10-0pbi-0960000000-08a68efa973c6989335b
Source of Spectrum F-59-129-1a
Synonyms (S)-4-(2,3-Dihydroxy-4-methyl-phenyl)-3-hydroxy-5-methyl-tetrahydro-pyran-2-one
Wiley ID 1676719