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4-(2-HYDROXYBUTYNOXY)-BENZOIC-ACID
SpectraBase Compound ID EeForIyYVIq
InChI InChI=1S/C11H10O4/c1-2-9(12)7-15-10-5-3-8(4-6-10)11(13)14/h1,3-6,9,12H,7H2,(H,13,14)/t9-/m0/s1
InChIKey BHYJLEDUCTYKHX-VIFPVBQESA-N
Mol Weight 206.2 g/mol
Molecular Formula C11H10O4
Exact Mass 206.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Er3W02wnFo1
Name 4-(2-Hydroxy-3-butynoxy)benzoic acid
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O4
InChI InChI=1S/C11H10O4/c1-2-9(12)7-15-10-5-3-8(4-6-10)11(13)14/h1,3-6,9,12H,7H2,(H,13,14)/t9-/m0/s1
InChIKey BHYJLEDUCTYKHX-VIFPVBQESA-N
Instrument Name VG TRIO 1 quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/np020342d
Molecular Weight 206.197 g/mol
Optical Rotation [a]D24 = +80 (c = 0.4, CH3OH)
Reported Formula C11H10O4
SMILES OC(c1ccc(OC[C@](C#C)(O)[H])cc1)=O
SPLASH splash10-00xr-4910000000-d5a81b6468877927f9f8
Source of Spectrum G4-66-78-11
Wiley ID 1881186