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(3S)-(3',5'-DIHYDROXYPHENYL)-BUTAN-2-ONE
SpectraBase Compound ID ANYySaPCjFF
InChI InChI=1S/C10H12O3/c1-6(7(2)11)8-3-9(12)5-10(13)4-8/h3-6,12-13H,1-2H3/t6-/m1/s1
InChIKey FRFPBNSSHPTWHO-ZCFIWIBFSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x43r6AIooO
Name (3S)-3-(3,5-dihydroxyphenyl)-2-butanone
Alternate Name(s) (3S)-3-(3,5-dihydroxyphenyl)butan-2-one (3S)-3-[3,5-bis(oxidanyl)phenyl]butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6(7(2)11)8-3-9(12)5-10(13)4-8/h3-6,12-13H,1-2H3/t6-/m1/s1
InChIKey FRFPBNSSHPTWHO-ZCFIWIBFSA-N
Molecular Weight 180.203 g/mol
SMILES Oc1cc(cc(c1)O)[C@@](C(=O)C)(C)[H]
SPLASH splash10-0019-0900000000-f7dc30043254d7f09079
Source of Spectrum G4-62-117-2
Wiley ID 1607682