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(2S)-2-(2-hydroxy-4-tert-butylphenyl)-1,2-dihydroxypropane
SpectraBase Compound ID PCj51osOHT
InChI InChI=1S/C13H20O3/c1-12(2,3)9-5-6-10(11(15)7-9)13(4,16)8-14/h5-7,14-16H,8H2,1-4H3/t13-/m1/s1
InChIKey XMUAVKCOQKCIRP-CYBMUJFWSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtgleYRPGNH
Name (2S)-2-(2-hydroxy-4-tert-butylphenyl)-1,2-dihydroxypropane
CAS Registry Number 113322-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-12(2,3)9-5-6-10(11(15)7-9)13(4,16)8-14/h5-7,14-16H,8H2,1-4H3/t13-/m1/s1
InChIKey XMUAVKCOQKCIRP-CYBMUJFWSA-N
Molecular Weight 224.300 g/mol
SMILES Oc1c([C@@](CO)(O)C)ccc(c1)C(C)(C)C
SPLASH splash10-002f-0910000000-eca000220847be8058a4
Source of Spectrum J-53-1784-0
Synonyms (2S)-2-(4-tert-butyl-2-hydroxyphenyl)-1,2-propanediol (2S)-2-(4-tert-butyl-2-hydroxyphenyl)propane-1,2-diol (2S)-2-(4-tert-butyl-2-oxidanyl-phenyl)propane-1,2-diol
Wiley ID 1225316