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18-O-(carboxyl)-Methyl abscisate
SpectraBase Compound ID 4uYLxQcIZ77
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/i18+2
InChIKey HHDYPZVHXGPCRG-NKBBJAIFSA-N
Mol Weight 280.35 g/mol
Molecular Formula C16H22O318O
Exact Mass 280.156054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvgNBErmMkM
Name 18-O-(carboxyl)-Methyl abscisate
Comments Original formula: C16H22O3[18O]
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-/i18+2
InChIKey HHDYPZVHXGPCRG-NKBBJAIFSA-N
Molecular Weight 280.348 g/mol
SMILES OC1(C(=CC(CC1(C)C)=O)C)\C=C\C(=C/C(=[18O])OC)C
SPLASH splash10-03fs-0090000000-f4ac0766444c24722f9b
Source of Spectrum O-34-617-0
Synonyms Methyl(1-18O)abscisate Methyl 5-[2',2',6'-trimethyl-4'-oxo-cyclohex-5'-enyl)-3-methylpent-2-enoate-(18-O-carboxyl)
Wiley ID 763384