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3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID An773e8wQj4
InChI InChI=1S/C14H15NO4/c1-14(2,3)19-18-13(16)11-9-12(17-15-11)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKey BJFWUSZVTJOZGA-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QILUpVaNBa
Name 3-Isoxazolecarboperoxoic acid, 5-phenyl-, 1,1-dimethylethyl ester
CAS Registry Number 35145-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-14(2,3)19-18-13(16)11-9-12(17-15-11)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKey BJFWUSZVTJOZGA-UHFFFAOYSA-N
Molecular Weight 261.277 g/mol
SMILES CC(C)(C)OOC(c1cc(-c2ccccc2)on1)=O
SPLASH splash10-052f-9000000000-558a39001479a3147a83
Source of Spectrum KI-0-2-0
Synonyms tert-Butyl 5-phenyl-3-isoxazolecarboperoxoate 5-Phenyl-3-isoxazolecarboperoxoic acid tert-butyl ester 5-Phenylisoxazole-3-carboperoxoic acid tert-butyl ester tert-Butyl 5-phenyl-1,2-oxazole-3-carboperoxoate tert-Butyl 5-phenylisoxazole-3-carboperoxoate
Wiley ID 1264705