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Hetacillin methyl-ester

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Hetacillin methyl-ester
SpectraBase Compound ID 7N0VfujSv92
InChI InChI=1S/C20H23N3O4S/c1-19(2)14(18(26)27-5)22-16(25)13(17(22)28-19)23-15(24)12(21-20(23,3)4)11-9-7-6-8-10-11/h6-10,13-14,17H,1-5H3
InChIKey QXYNJYVUUMPRLY-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C20H23N3O4S
Exact Mass 401.140927 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKxJU4NO6tq
Name Hetacillin methyl-ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H23N3O4S
InChI InChI=1S/C20H23N3O4S/c1-19(2)14(18(26)27-5)22-16(25)13(17(22)28-19)23-15(24)12(21-20(23,3)4)11-9-7-6-8-10-11/h6-10,13-14,17H,1-5H3
InChIKey QXYNJYVUUMPRLY-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 H2O