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3,3-Dimethyl-6-(4-tolylthio)imino-7-oxo-4-thia-1-aza-bicyclo(3.2.0)heptane-2-carboxylic acid, trichloro-ethyl ester
SpectraBase Compound ID ETzKIla06E4
InChI InChI=1S/C17H17Cl3N2O3S2/c1-9-4-6-10(7-5-9)27-21-11-13(23)22-12(16(2,3)26-14(11)22)15(24)25-8-17(18,19)20/h4-7,12,14H,8H2,1-3H3/b21-11-
InChIKey XSFXWBLEMAGWGN-NHDPSOOVSA-N
Mol Weight 467.81 g/mol
Molecular Formula C17H17Cl3N2O3S2
Exact Mass 465.974618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBhPjLL6wfY
Name 3,3-Dimethyl-6-(4-tolylthio)imino-7-oxo-4-thia-1-aza-bicyclo(3.2.0)heptane-2-carboxylic acid, trichloro-ethyl ester
CAS Registry Number 67366-05-6
Comments *2S-(2A,5A)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17Cl3N2O3S2
InChI InChI=1S/C17H17Cl3N2O3S2/c1-9-4-6-10(7-5-9)27-21-11-13(23)22-12(16(2,3)26-14(11)22)15(24)25-8-17(18,19)20/h4-7,12,14H,8H2,1-3H3/b21-11-
InChIKey XSFXWBLEMAGWGN-NHDPSOOVSA-N
Instrument Name Varian XL-100
Literature Reference E.M. Gordon, H.W. Chang, C.M. Cimarusti, J. Am. Chem. Soc. 102, 1690 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3