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(4S,5S)-5-(2-hydroxyphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID IwTRtGPsxGl
InChI InChI=1S/C21H23NO4/c1-5-25-21(24)18-19(17-13(3)10-12(2)11-14(17)4)22-26-20(18)15-8-6-7-9-16(15)23/h6-11,18,20,23H,5H2,1-4H3/t18-,20+/m0/s1
InChIKey ZDANFPJZVZVNEQ-AZUAARDMSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FkhMGcOha1
Name (4S,5S)-5-(2-hydroxyphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylic acid ethyl ester
CAS Registry Number 129207-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-5-25-21(24)18-19(17-13(3)10-12(2)11-14(17)4)22-26-20(18)15-8-6-7-9-16(15)23/h6-11,18,20,23H,5H2,1-4H3/t18-,20+/m0/s1
InChIKey ZDANFPJZVZVNEQ-AZUAARDMSA-N
Molecular Weight 353.418 g/mol
SMILES Oc1c([C@@]2([C@](C(=NO2)c2c(cc(cc2C)C)C)(C(=O)OCC)[H])[H])cccc1
SPLASH splash10-0zfr-0967000000-7c5ce74fb2e5f900d68a
Source of Spectrum Y-27-772-6
Synonyms (4S,5S)-5-(2-hydroxyphenyl)-3-mesityl-2-isoxazoline-4-carboxylic acid ethyl ester Ethyl (4S,5S)-5-(2-hydroxyphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate Ethyl (4S,5S)-5-(2-hydroxyphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carboxylate
Wiley ID 1344038