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(S)-Melodorinol
SpectraBase Compound ID BrH728Fx0OD
InChI InChI=1S/C14H12O5/c15-11(8-12-6-7-13(16)19-12)9-18-14(17)10-4-2-1-3-5-10/h1-8,11,15H,9H2/b12-8-/t11-/m0/s1
InChIKey WQHRXHYOKDRIRR-LCFDYFRESA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly2rHbBnS7o
Name (S)-Melodorinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O5
InChI InChI=1S/C14H12O5/c15-11(8-12-6-7-13(16)19-12)9-18-14(17)10-4-2-1-3-5-10/h1-8,11,15H,9H2/b12-8-/t11-/m0/s1
InChIKey WQHRXHYOKDRIRR-LCFDYFRESA-N
Molecular Weight 260.245 g/mol
SMILES O[C@@](\C=C\1OC(=O)C=C1)(COC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-2900000000-af852ceb7bb2cb20b6d2
Source of Spectrum QC-7-3145-1
Synonyms Melodorinol (2S,3Z)-2-hydroxy-3-(5-oxo-2(5H)-furanylidene)propyl benzoate (S)-(+)-(Z)-5-(3-Benzoyloxy-2-hydroxypropylidene)-2(5H)-furanone (melodorinol) benzoic acid[(2S,3Z)-2-hydroxy-3-(5-keto-2-furylidene)propyl]ester benzoic acid[(2S,3Z)-2-hydroxy-3-(5-oxo-2-furanylidene)propyl]ester benzoic acid [(2S,3Z)-2-hydroxy-3-(5-oxo-2-furanylidene)propyl] ester [(2S,3Z)-2-hydroxy-3-(5-oxo-2-furylidene)propyl]benzoate [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl]benzoate [(2S,3Z)-2-hydroxy-3-(5-oxo-2-furylidene)propyl] benzoate [(2S,3Z)-2-oxidanyl-3-(5-oxidanylidenefuran-2-ylidene)propyl]benzoate [(2S,3Z)-2-oxidanyl-3-(5-oxidanylidenefuran-2-ylidene)propyl] benzoate
Wiley ID 869490