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cis-N-[1-acetonyl-2-oxo-4-(tritylthio)-3-azetidinyl]-2-phenylacetamide

View entire compound with spectra: 2 NMR, 1 Raman, and 1 UV-Vis

cis-N-[1-acetonyl-2-oxo-4-(tritylthio)-3-azetidinyl]-2-phenylacetamide
SpectraBase Compound ID DNw7hGnVpYh
InChI InChI=1S/C33H30N2O3S/c1-24(36)23-35-31(38)30(34-29(37)22-25-14-6-2-7-15-25)32(35)39-33(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,30,32H,22-23H2,1H3,(H,34,37)/t30-,32-/m1/s1
InChIKey DGJBSEJYAYVANI-XLJNKUFUSA-N
Mol Weight 534.7 g/mol
Molecular Formula C33H30N2O3S
Exact Mass 534.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YRcXkGSDsk
Name cis-N-[1-Acetonyl-2-oxo-4-(tritylthio)-3-azetidinyl]-2-phenylacetamide
Comments Computed using HOSE algorithm
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Exact Mass 534.197714005 u
Formula C33H30N2O3S
InChI InChI=1S/C33H30N2O3S/c1-24(36)23-35-31(38)30(34-29(37)22-25-14-6-2-7-15-25)32(35)39-33(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,30,32H,22-23H2,1H3,(H,34,37)/t30-,32-/m1/s1
InChIKey DGJBSEJYAYVANI-XLJNKUFUSA-N
Molecular Weight 534.674 g/mol
SMILES N([C@@]1(C(N([C@@]1(SC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)[H])CC(C)=O)=O)[H])C(CC=1C=CC=CC1)=O