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METHYL_(+/-)-(Z)-5-(1,3-BENZODIOXOL-5-YL)-8-HYDROXY-4-OXAOCT-6-ENOATE
SpectraBase Compound ID A6tkJkMtyMb
InChI InChI=1S/C15H18O6/c1-18-15(17)6-8-19-12(3-2-7-16)11-4-5-13-14(9-11)21-10-20-13/h2-5,9,12,16H,6-8,10H2,1H3/b3-2-
InChIKey BQVOCCMEGULIHQ-IHWYPQMZSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68JQbdPtxeK
Name Methyl (+-)-(Z)-5-(1,3-Benzodioxol-5-yl)-8-hydroxy-4-oxaoct-6-enoate
Alternate Name(s) Methyl 3-{[(2Z)-1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-butenyl]oxy}propanoate
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Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-18-15(17)6-8-19-12(3-2-7-16)11-4-5-13-14(9-11)21-10-20-13/h2-5,9,12,16H,6-8,10H2,1H3/b3-2-
InChIKey BQVOCCMEGULIHQ-IHWYPQMZSA-N
Molecular Weight 294.303 g/mol
SMILES OC\C=C/C(c1cc2c(OCO2)cc1)OCCC(=O)OC
SPLASH splash10-00di-0900000000-5ddb639df47ec37cb4e4
Source of Spectrum KC-0-1783-21
Wiley ID 825483