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METHYL_3,4-DIHYDROXY-5-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOATE
SpectraBase Compound ID EjyEfwRvkaa
InChI InChI=1S/C13H16O5/c1-7(2)10(14)5-8-4-9(13(17)18-3)6-11(15)12(8)16/h4,6,10,14-16H,1,5H2,2-3H3
InChIKey KVDSAANFJMQAKH-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G337SwQwyv8
Name Methyl 3,4-dihydroxy-5-(2'-hydroxy-3'-methyl-3'-butenyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-7(2)10(14)5-8-4-9(13(17)18-3)6-11(15)12(8)16/h4,6,10,14-16H,1,5H2,2-3H3
InChIKey KVDSAANFJMQAKH-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES Oc1cc(cc(c1O)CC(C(=C)C)O)C(=O)OC
SPLASH splash10-0fsi-0790000000-8232a544c5c43322bb9f
Source of Spectrum G4-71-1542-1
Synonyms 3,4-Dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)benzoic acid methyl ester Methyl 3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)benzoate Methyl 3,4-dihydroxy-5-(2-hydroxy-3-methyl-but-3-enyl)benzoate Methyl 3-(3-methyl-2-oxidanyl-but-3-enyl)-4,5-bis(oxidanyl)benzoate
Wiley ID 1695174