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5,7-Di-tert-butyl-2-(3-iodo-phenyl)-2,3-dihydro-benzooxazole
SpectraBase Compound ID 8T6yxxdvniD
InChI InChI=1S/C21H26INO/c1-20(2,3)14-11-16(21(4,5)6)18-17(12-14)23-19(24-18)13-8-7-9-15(22)10-13/h7-12,19,23H,1-6H3
InChIKey MDCQSQMXDAJHKA-UHFFFAOYSA-N
Mol Weight 435.35 g/mol
Molecular Formula C21H26INO
Exact Mass 435.105909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QemkKHgVtW
Name 5,7-Di-tert-butyl-2-(3-iodo-phenyl)-2,3-dihydro-benzooxazole
CAS Registry Number 333778-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26INO
InChI InChI=1S/C21H26INO/c1-20(2,3)14-11-16(21(4,5)6)18-17(12-14)23-19(24-18)13-8-7-9-15(22)10-13/h7-12,19,23H,1-6H3
InChIKey MDCQSQMXDAJHKA-UHFFFAOYSA-N
Molecular Weight 435.349 g/mol
SMILES N1C(Oc2c1cc(cc2C(C)(C)C)C(C)(C)C)c1cc(ccc1)I
SPLASH splash10-0079-2542900000-20bb51c121da97e5011c
Synonyms 5,7-Ditert-butyl-2-(3-iodanylphenyl)-2,3-dihydro-1,3-benzoxazole 5,7-Ditert-butyl-2-(3-iodophenyl)-2,3-dihydro-1,3-benzoxazole
Wiley ID 1460593