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Benzyl 5-tert-butyl-3-phenylisoxazole-2(3H)-carboxylate
SpectraBase Compound ID 5WKmRp5z79l
InChI InChI=1S/C21H23NO3/c1-21(2,3)19-14-18(17-12-8-5-9-13-17)22(25-19)20(23)24-15-16-10-6-4-7-11-16/h4-14,18H,15H2,1-3H3
InChIKey ASUKMLFKWMRTII-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjBqo9ehWeu
Name Benzyl 5-tert-butyl-3-phenylisoxazole-2(3H)-carboxylate
Alternate Name(s) Benzyl 5-(tert-butyl)-3-phenylisoxazole-2(3H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-21(2,3)19-14-18(17-12-8-5-9-13-17)22(25-19)20(23)24-15-16-10-6-4-7-11-16/h4-14,18H,15H2,1-3H3
InChIKey ASUKMLFKWMRTII-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900127
Molecular Weight 337.419 g/mol
SMILES C=1(ON(C(C1)c1ccccc1)C(=O)OCc1ccccc1)C(C)(C)C
SPLASH splash10-0f6x-9331000000-0698f69b33dcf9c43de4
Source of Spectrum ASC-351-1997-4gb
Wiley ID 1763277