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Acetylmelodorinol
SpectraBase Compound ID F8HT07oiAr2
InChI InChI=1S/C16H14O6/c1-11(17)21-14(9-13-7-8-15(18)22-13)10-20-16(19)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3/b13-9-/t14-/m0/s1
InChIKey GRILELGQNUBIAJ-XXYUJHKVSA-N
Mol Weight 302.28 g/mol
Molecular Formula C16H14O6
Exact Mass 302.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mVRDtffdY
Name Acetylmelodorinol
CAS Registry Number 130518-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O6
InChI InChI=1S/C16H14O6/c1-11(17)21-14(9-13-7-8-15(18)22-13)10-20-16(19)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3/b13-9-/t14-/m0/s1
InChIKey GRILELGQNUBIAJ-XXYUJHKVSA-N
Molecular Weight 302.282 g/mol
SMILES C1(O\C(C=C1)=C\[C@](OC(=O)C)(COC(=O)c1ccccc1)[H])=O
SPLASH splash10-0a6u-9600000000-6e6060ecac5a9c51fe13
Source of Spectrum H1-51-801-2
Synonyms benzoic acid [(2S,3Z)-2-acetyloxy-3-(5-oxo-2-furanylidene)propyl] ester [(2S,3Z)-2-acetyloxy-3-(5-oxofuran-2-ylidene)propyl] benzoate [(2S,3Z)-2-acetoxy-3-(5-oxo-2-furylidene)propyl] benzoate [(2S,3Z)-2-acetyloxy-3-(5-oxidanylidenefuran-2-ylidene)propyl] benzoate
Wiley ID 817188