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3'(S)-ACETOXY-4'(S)-HYDROXY-3',4'-DIHYDRO-SESELIN
SpectraBase Compound ID 1MCYSy3c57O
InChI InChI=1S/C16H16O6/c1-8(17)20-15-13(19)12-10(22-16(15,2)3)6-4-9-5-7-11(18)21-14(9)12/h4-7,13,15,19H,1-3H3/t13-,15-/m1/s1
InChIKey WGBFEDHNTNVZGG-UKRRQHHQSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NXdSXSHRKY
Name 3'(R)-Acetoxy-4'(R)-hydroxy-3',4'-dihydroseselin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-8(17)20-15-13(19)12-10(22-16(15,2)3)6-4-9-5-7-11(18)21-14(9)12/h4-7,13,15,19H,1-3H3/t13-,15-/m1/s1
InChIKey WGBFEDHNTNVZGG-UKRRQHHQSA-N
Molecular Weight 304.298 g/mol
SMILES O[C@@]1(c2c3OC(=O)C=Cc3ccc2OC(C)(C)[C@@]1(OC(=O)C)[H])[H]
SPLASH splash10-00kg-3900000000-9a10974656a9b85bcc79
Source of Spectrum O1-60-605-4
Wiley ID 1591936