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4-HYDROXY-3-(3'-METHYL-3'-BUTEN-1'-INYL)-BENZOIC_ACID
SpectraBase Compound ID 5C1bszZI6cR
InChI InChI=1S/C12H10O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h5-7,13H,1H2,2H3,(H,14,15)
InChIKey HFSFSKBQIGXUEY-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C12H10O3
Exact Mass 202.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D24mMl9POya
Name 4-Hydroxy-3-(3'-methylbut-3-en-1'-ynyl)benzoic acid
CAS Registry Number 121007-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O3
InChI InChI=1S/C12H10O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h5-7,13H,1H2,2H3,(H,14,15)
InChIKey HFSFSKBQIGXUEY-UHFFFAOYSA-N
Molecular Weight 202.209 g/mol
SMILES OC(c1cc(c(cc1)O)C#CC(=C)C)=O
SPLASH splash10-0udi-0980000000-3bc93ff109584e152462
Source of Spectrum H-72-932-5
Synonyms Benzoic acid, 4-hydroxy-3-(3-methyl-3-buten-1-ynyl)- 4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid 4-Hydroxy-3-(3-methylbut-3-en-1-ynyl)benzoic acid
Wiley ID 1199835