Darbufelone

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Systematic / IUPAC Name: (5Z)-2-Amino-5-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1,3-thiazol-4(5H)-one

ID: Reference2997

Other Names: (Z)-2-Amino-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)thiazol-4(5H)-one;
(5Z)-2-Amino-5-[(4-hydroxy-3,5-ditert-butyl-phenyl)methylidene]-1,3-thiazol-4-one

Formula: C18H24N2O2S

Spectral Data

Darbufelone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 9/7/2015 11:47:51 AM
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Identificators

InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9-
InChI Key AKTXOQVMWSFEBQ-LCYFTJDESA-N
Canonical SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N=C(S2)N
CAS 139226281
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Other Names (Z)-2-Amino-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)thiazol-4(5H)-one;
(5Z)-2-Amino-5-[(4-hydroxy-3,5-ditert-butyl-phenyl)methylidene]-1,3-thiazol-4-one

In Other Databases

PubChem 6444826
ChemIDPlus 139226281
ChemSpider 4948667