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3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, diphenylmethyl ester, 4-oxide

View entire compound with spectra: 2 NMR, and 1 FTIR

3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, diphenylmethyl ester, 4-oxide
SpectraBase Compound ID 8FpvlW5NBVe
InChI InChI=1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)/t23-,25+,27-,38?/m1/s1
InChIKey LCRVLXSXMGVJHV-KWNWCNBBSA-N
Mol Weight 532.61 g/mol
Molecular Formula C29H28N2O6S
Exact Mass 532.166808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSm8Y26ToKW
Name 3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, DIPHENYLMETHYLESTER, 4-OXIDE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 10209-09-3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N2O6S
InChI InChI=1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)/t23-,25+,27-,38?/m1/s1
InChIKey LCRVLXSXMGVJHV-KWNWCNBBSA-N
Melting Point 148-150C
Molecular Weight 532.62
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20