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tert-Butyl N-{5-[(3-Aminophenyl)ethynyl]-1,3-thiazol-4-yl}carbamate
SpectraBase Compound ID 6bzYuQQUnnm
InChI InChI=1S/C16H17N3O2S/c1-16(2,3)21-15(20)19-14-13(22-10-18-14)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,17H2,1-3H3,(H,19,20)
InChIKey JVGBWBOFNUBWDB-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 172ROaKIoTC
Name tert-Butyl N-{5-[(3-Aminophenyl)ethynyl]-1,3-thiazol-4-yl}carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C16H17N3O2S
InChI InChI=1S/C16H17N3O2S/c1-16(2,3)21-15(20)19-14-13(22-10-18-14)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,17H2,1-3H3,(H,19,20)
InChIKey JVGBWBOFNUBWDB-UHFFFAOYSA-N
Molecular Weight 315.391 g/mol
SMILES N(c1c(C#Cc2cc(ccc2)N)scn1)C(OC(C)(C)C)=O
SPLASH splash10-014i-0092000000-206e072bfb7ebab367e9
Source of Spectrum F4-42-3158-6e
Synonyms N-[5-[2-(3-aminophenyl)ethynyl]-4-thiazolyl]carbamic acid tert-butyl ester tert-butyl N-[5-[2-(3-aminophenyl)ethynyl]thiazol-4-yl]carbamate tert-butyl N-[5-[2-(3-aminophenyl)ethynyl]-1,3-thiazol-4-yl]carbamate
Wiley ID 1674780