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tert-Butyl N-(5-{3-[(Benzylamino)phenyl]ethynyl}-1,3-thiazol-4-yl}carbamate
SpectraBase Compound ID Ap4KPs2K7Sm
InChI InChI=1S/C23H23N3O2S/c1-23(2,3)28-22(27)26-21-20(29-16-25-21)13-12-17-10-7-11-19(14-17)24-15-18-8-5-4-6-9-18/h4-11,14,16,24H,15H2,1-3H3,(H,26,27)
InChIKey YVPAYBYTSVUFTL-UHFFFAOYSA-N
Mol Weight 405.52 g/mol
Molecular Formula C23H23N3O2S
Exact Mass 405.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKPilD3U3NL
Name tert-Butyl N-(5-{3-[(Benzylamino)phenyl]ethynyl}-1,3-thiazol-4-yl}carbamate
Alternate Name(s) N-[5-[2-[3-[(phenylmethyl)amino]phenyl]ethynyl]-4-thiazolyl]carbamic acid tert-butyl ester tert-butyl N-[5-[2-[3-(benzylamino)phenyl]ethynyl]-1,3-thiazol-4-yl]carbamate tert-butyl N-[5-[2-[3-(benzylamino)phenyl]ethynyl]thiazol-4-yl]carbamate tert-butyl N-[5-[2-[3-[(phenylmethyl)amino]phenyl]ethynyl]-1,3-thiazol-4-yl]carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C23H23N3O2S
InChI InChI=1S/C23H23N3O2S/c1-23(2,3)28-22(27)26-21-20(29-16-25-21)13-12-17-10-7-11-19(14-17)24-15-18-8-5-4-6-9-18/h4-11,14,16,24H,15H2,1-3H3,(H,26,27)
InChIKey YVPAYBYTSVUFTL-UHFFFAOYSA-N
Molecular Weight 405.516 g/mol
SMILES N(c1c(C#Cc2cc(NCc3ccccc3)ccc2)scn1)C(OC(C)(C)C)=O
SPLASH splash10-0udi-0090100000-d1d04b27fcb2d8c54a51
Source of Spectrum F4-42-3158-6h
Wiley ID 1674777