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(2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxy-butanoic acid
SpectraBase Compound ID YgGNNUfcw5
InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)26-16-15-21(23)22(24)25/h7-14,21,23H,2-6,15-16H2,1H3,(H,24,25)/t21-/m0/s1
InChIKey HQYTXHGGAGZFJI-NRFANRHFSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAsxZ3T6ESX
Name (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxy-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)26-16-15-21(23)22(24)25/h7-14,21,23H,2-6,15-16H2,1H3,(H,24,25)/t21-/m0/s1
InChIKey HQYTXHGGAGZFJI-NRFANRHFSA-N
Molecular Weight 356.462 g/mol
SMILES O[C@](C(=O)O)(CCOc1ccc(cc1)-c1ccc(cc1)CCCCCC)[H]
SPLASH splash10-0f89-0953000000-5a6e646f1d7be20c931c
Source of Spectrum KC-20-2017-2
Synonyms (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxy-butyric acid (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-oxidanyl-butanoic acid
Wiley ID 821602