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4-(5-{3-[(4-tert-butylphenoxy)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
SpectraBase Compound ID 9dUMaIscYaY
InChI InChI=1S/C21H21N5O3/c1-21(2,3)15-7-9-16(10-8-15)27-12-13-5-4-6-14(11-13)20-23-19(26-28-20)17-18(22)25-29-24-17/h4-11H,12H2,1-3H3,(H2,22,25)
InChIKey YBYVFMPYXCLXSW-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C21H21N5O3
Exact Mass 391.16444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2VmGIpJSyF
Name 4-(5-{3-[(4-tert-butylphenoxy)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O3
InChI InChI=1S/C21H21N5O3/c1-21(2,3)15-7-9-16(10-8-15)27-12-13-5-4-6-14(11-13)20-23-19(26-28-20)17-18(22)25-29-24-17/h4-11H,12H2,1-3H3,(H2,22,25)
InChIKey YBYVFMPYXCLXSW-UHFFFAOYSA-N
Molecular Weight 391.431 g/mol
SMILES Nc1c(-c2nc(-c3cc(COc4ccc(C(C)(C)C)cc4)ccc3)on2)non1
SPLASH splash10-002f-7936000000-5219c0b800f341bc30ed
Synonyms [4-[5-[3-[(4-tert-butylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]furazan-3-yl]amine
Wiley ID 1452796