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exo-(5S*,6S*)-6-(4-Chlorophenyl)-8-phenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one
SpectraBase Compound ID DY4yfokTPEs
InChI InChI=1S/C19H16ClNO2/c20-15-8-6-14(7-9-15)17-19(10-11-23-18(19)22)12-16(21-17)13-4-2-1-3-5-13/h1-9,17H,10-12H2/t17-,19+/m0/s1
InChIKey KAZVMUIQXLZTEF-PKOBYXMFSA-N
Mol Weight 325.8 g/mol
Molecular Formula C19H16ClNO2
Exact Mass 325.086956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuE0XudDu25
Name exo-(5S*,6S*)-6-(4-Chlorophenyl)-8-phenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.086956457 u
Formula C19H16ClNO2
InChI InChI=1S/C19H16ClNO2/c20-15-8-6-14(7-9-15)17-19(10-11-23-18(19)22)12-16(21-17)13-4-2-1-3-5-13/h1-9,17H,10-12H2/t17-,19+/m0/s1
InChIKey KAZVMUIQXLZTEF-PKOBYXMFSA-N
Molecular Weight 325.795 g/mol
SMILES [C@@]12([C@@](N=C(C2)C2=CC=CC=C2)(C=2C=CC(=CC2)Cl)[H])C(OCC1)=O