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Benzoic acid, 3,5-dihydroxy-4-(3-methyl-2-butenyl)-, methyl ester
SpectraBase Compound ID ArWJqRhi8O4
InChI InChI=1S/C13H16O4/c1-8(2)4-5-10-11(14)6-9(7-12(10)15)13(16)17-3/h4,6-7,14-15H,5H2,1-3H3
InChIKey APSWPUXCICZSRZ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZz3yR4EVPF
Name Benzoic acid, 3,5-dihydroxy-4-(3-methyl-2-butenyl)-, methyl ester
CAS Registry Number 104550-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8(2)4-5-10-11(14)6-9(7-12(10)15)13(16)17-3/h4,6-7,14-15H,5H2,1-3H3
InChIKey APSWPUXCICZSRZ-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES Oc1c(c(cc(c1)C(=O)OC)O)CC=C(C)C
SPLASH splash10-000i-0090000000-f9a2ec9219bff30c3f98
Source of Spectrum J-51-4482-8
Synonyms 4,5-Dihydroxy-4-(3-methyl-2-butenyl)benzoic acid methyl ester Methyl 3,5-dihydroxy-4-(3-methyl-2-butenyl)benzoate Methyl 3,5-dihydroxy-4-(3-methylbut-2-enyl)benzoate Methyl 4-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)benzoate
Wiley ID 1238069