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4-(4-chlorobenzoyl)-1-hexadecyl-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

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4-(4-chlorobenzoyl)-1-hexadecyl-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
SpectraBase Compound ID 1xIqO1pyzk4
InChI InChI=1S/C34H46ClNO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-36-31(26-19-23-29(40-2)24-20-26)30(33(38)34(36)39)32(37)27-17-21-28(35)22-18-27/h17-24,31,38H,3-16,25H2,1-2H3
InChIKey OXCFVOUTCVJJQP-UHFFFAOYSA-N
Mol Weight 568.2 g/mol
Molecular Formula C34H46ClNO4
Exact Mass 567.311537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZH3T6xcjJc
Name 4-(4-Chlorobenzoyl)-1-hexadecyl-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.311536661 u
Formula C34H46ClNO4
InChI InChI=1S/C34H46ClNO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-36-31(26-19-23-29(40-2)24-20-26)30(33(38)34(36)39)32(37)27-17-21-28(35)22-18-27/h17-24,31,38H,3-16,25H2,1-2H3
InChIKey OXCFVOUTCVJJQP-UHFFFAOYSA-N
Molecular Weight 568.198 g/mol
SMILES OC1=C(C(N(CCCCCCCCCCCCCCCC)C1=O)C=1C=CC(=CC1)OC)C(C=1C=CC(=CC1)Cl)=O