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Methyl 6a-chloro-penicillanate

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Methyl 6a-chloro-penicillanate
SpectraBase Compound ID 2gVpOECsWSZ
InChI InChI=1S/C9H12ClNO3S/c1-9(2)5(8(13)14-3)11-6(12)4(10)7(11)15-9/h4-5,7H,1-3H3
InChIKey VLPXPPIGKPMYHL-UHFFFAOYSA-N
Mol Weight 249.71 g/mol
Molecular Formula C9H12ClNO3S
Exact Mass 249.022642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxN0wYnGd0m
Name Methyl 6a-chloro-penicillanate
CAS Registry Number 17997-81-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12ClNO3S
InChI InChI=1S/C9H12ClNO3S/c1-9(2)5(8(13)14-3)11-6(12)4(10)7(11)15-9/h4-5,7H,1-3H3
InChIKey VLPXPPIGKPMYHL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference C.R. Harrison, P. Hodge, J. Chem. Soc. Perkin I 1772 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6