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(3,4-DIMETHYL-5-THIOXO-1,5-DIHYDRO-PYRROL-2-YLIDENE)ACETIC ACID tert-BUTYL ESTER
SpectraBase Compound ID 4Q8gz137atc
InChI InChI=1S/C12H17NO2S/c1-7-8(2)11(16)13-9(7)6-10(14)15-12(3,4)5/h6H,1-5H3,(H,13,16)/b9-6+
InChIKey CNJHIHKKKBUSQJ-RMKNXTFCSA-N
Mol Weight 239.33 g/mol
Molecular Formula C12H17NO2S
Exact Mass 239.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20JoWqVLYhj
Name (3,4-DIMETHYL-5-THIOXO-1,5-DIHYDRO-PYRROL-2-YLIDENE)ACETIC ACID tert-BUTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17NO2S
InChI InChI=1S/C12H17NO2S/c1-7-8(2)11(16)13-9(7)6-10(14)15-12(3,4)5/h6H,1-5H3,(H,13,16)/b9-6+
InChIKey CNJHIHKKKBUSQJ-RMKNXTFCSA-N
Molecular Weight 239.0976
SMILES N1C(C(=C(\C1=C\C(OC(C)(C)C)=O)C)C)=S
SPLASH splash10-014i-3910000000-c75389e18fd70442a929
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany