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(2-(2-METHYL-2,5-DIHYDRO-1,3-THIAZOL-2-YL)-2-PHENYLHYDRAZONO-ACETIC-ACID,TERT.-BUTYLESTER
SpectraBase Compound ID BYuztk0OoBE
InChI InChI=1S/C16H21N3O2S/c1-15(2,3)21-14(20)13(16(4)17-10-11-22-16)19-18-12-8-6-5-7-9-12/h5-10,18H,11H2,1-4H3/b19-13+
InChIKey IXSMFEFTBJPCGB-CPNJWEJPSA-N
Mol Weight 319.42 g/mol
Molecular Formula C16H21N3O2S
Exact Mass 319.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9k6Eki7WZag
Name 2-Thiazoleacetic acid, 2,5-dihydro-2-methyl-.alpha.-(phenylhydrazono)-, 1,1-dimethylethyl ester
CAS Registry Number 77362-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O2S
InChI InChI=1S/C16H21N3O2S/c1-15(2,3)21-14(20)13(16(4)17-10-11-22-16)19-18-12-8-6-5-7-9-12/h5-10,18H,11H2,1-4H3/b19-13+
InChIKey IXSMFEFTBJPCGB-CPNJWEJPSA-N
Molecular Weight 319.423 g/mol
SMILES N(\N=C\(C1(N=CCS1)C)C(OC(C)(C)C)=O)c1ccccc1
SPLASH splash10-014i-6981000000-023b407d0fc887504fb4
Source of Spectrum K-114-2345-0
Synonyms tert-Butyl (2E)-(2-methyl-2,5-dihydro-1,3-thiazol-2-yl)(phenylhydrazono)ethanoate tert-Butylester of 2,5-dihydro-2-methyl-.alpha.-phenylhydrazono-2-thiazolacetic acid
Wiley ID 1319291