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2-Hydroxy-3-(3-hydroxyphenyl)propanoic acid
SpectraBase Compound ID FtOPWJdgXA3
InChI InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChIKey ZVQJWJJKDHMWQW-UHFFFAOYSA-N
Mol Weight 182.17 g/mol
Molecular Formula C9H10O4
Exact Mass 182.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jyt0GqZ7iBB
Name 2-Hydroxy-3-(3-hydroxyphenyl)propanoic acid
Alternate Name(s) 2-hydroxy-3-(3-hydroxyphenyl)propionic acid 3-(3-hydroxyphenyl)-2-oxidanyl-propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C9H10O4
InChI InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChIKey ZVQJWJJKDHMWQW-UHFFFAOYSA-N
Molecular Weight 182.175 g/mol
SMILES Oc1cc(CC(C(=O)O)O)ccc1
SPLASH splash10-0a4i-0900000000-fd68f228aac44ce32708
Source of Spectrum SO-0-795-6
Wiley ID 1543569