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Benzoic acid, 3,6-dihydroxy-2-propyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 3,6-dihydroxy-2-propyl-, methyl ester
SpectraBase Compound ID 88f83JrWq8l
InChI InChI=1S/C11H14O4/c1-3-4-7-8(12)5-6-9(13)10(7)11(14)15-2/h5-6,12-13H,3-4H2,1-2H3
InChIKey PHFXCFZKUYLRGT-UHFFFAOYSA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9l2xYW5rNOB
Name Benzoic acid, 3,6-dihydroxy-2-propyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-3-4-7-8(12)5-6-9(13)10(7)11(14)15-2/h5-6,12-13H,3-4H2,1-2H3
InChIKey PHFXCFZKUYLRGT-UHFFFAOYSA-N
Molecular Weight 210.229 g/mol
SMILES Oc1ccc(c(c1CCC)C(=O)OC)O
SPLASH splash10-004i-3910000000-b76c437ef6f8b0c1036f
Source of Spectrum JX-2015-0-13
Synonyms Methyl 3,6-dihydroxy-2-propylbenzoate 3,6-Dihydroxy-2-propylbenzoic acid methyl ester Methyl 3,6-dihydroxy-2-propyl-benzoate Methyl 3,6-bis(oxidanyl)-2-propyl-benzoate
Wiley ID 1720011