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Benzyl-penicillinmethyl ester

View entire compound with spectra: 2 NMR

Benzyl-penicillinmethyl ester
SpectraBase Compound ID Eu9w2dNQt57
InChI InChI=1S/C17H20N2O4S/c1-17(2)13(16(22)23-3)19-14(21)12(15(19)24-17)18-11(20)9-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,18,20)
InChIKey BDSWRKLSIKYPIB-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C17H20N2O4S
Exact Mass 348.114378 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nqwor8TzBL
Name Benzyl-penicillinmethyl ester
CAS Registry Number 653-89-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H20N2O4S
InChI InChI=1S/C17H20N2O4S/c1-17(2)13(16(22)23-3)19-14(21)12(15(19)24-17)18-11(20)9-10-7-5-4-6-8-10/h4-8,12-13,15H,9H2,1-3H3,(H,18,20)
InChIKey BDSWRKLSIKYPIB-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference J.W. Paschal et. al., J. Org. Chem. 43, 2013 (1978).
NMR Standard CH3NO2
Observed nucleus 15N
Solvent Benzene