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3-(3,5-dihydroxyphenyl)propanoic acid
SpectraBase Compound ID D6QMXvCM9nk
InChI InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13)
InChIKey ITPFIKQWNDGDLG-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 AWAa1UwLoSR
Name 3-(3,5-dihydroxyphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4
InChI InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13)
InChIKey ITPFIKQWNDGDLG-UHFFFAOYSA-N
Molecular Weight 182.175 g/mol
SMILES Oc1cc(cc(c1)CCC(=O)O)O
SPLASH splash10-0019-0900000000-e683454ff1bc061c1834
Source of Spectrum X2-47-833-4
Synonyms 3-(3,5-dihydroxyphenyl)propionic acid 3-[3,5-bis(oxidanyl)phenyl]propanoic acid
Wiley ID 1601527