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2',4',5'-trihydroxybutyrophenone
SpectraBase Compound ID 9urKjJmHvvF
InChI InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
InChIKey SRUQARLMFOLRDN-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je3TBtqWzva
Name 1-Butanone, 1-(2,4,5-trihydroxyphenyl)-
Alternate Name(s) Butyrophenone, 2',4',5'-trihydroxy- 1-(2,4,5-Trihydroxyphenyl)-1-butanone 1-(2,4,5-trihydroxyphenyl)butan-1-one 1-[2,4,5-tris(oxidanyl)phenyl]butan-1-one 2,4,5-Trihydroxybutyrophenone THBP USAF EK AI3-26870 BRN 2577028 CCRIS 6281 EINECS 215-824-8 HSDB 4288 NSC 73478
CAS Registry Number 1421-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
InChIKey SRUQARLMFOLRDN-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES Oc1cc(c(cc1C(CCC)=O)O)O
SPLASH splash10-0udi-4900000000-0cade850c5f1056bad3c
Source of Spectrum W5-0-0-0
Wiley ID 1192789