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Benzamide, 3-chloro-2-fluoro-N-(2-phenylethyl)-N-octadecyl-

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Benzamide, 3-chloro-2-fluoro-N-(2-phenylethyl)-N-octadecyl-
SpectraBase Compound ID BtkN4GbeWFR
InChI InChI=1S/C33H49ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-36(28-26-29-22-18-17-19-23-29)33(37)30-24-21-25-31(34)32(30)35/h17-19,21-25H,2-16,20,26-28H2,1H3
InChIKey PRVVJCDTCYFHHR-UHFFFAOYSA-N
Mol Weight 530.2 g/mol
Molecular Formula C33H49ClFNO
Exact Mass 529.348671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CF72n7BtYDt
Name Benzamide, 3-chloro-2-fluoro-N-(2-phenylethyl)-N-octadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.348671064 u
Formula C33H49ClFNO
InChI InChI=1S/C33H49ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-36(28-26-29-22-18-17-19-23-29)33(37)30-24-21-25-31(34)32(30)35/h17-19,21-25H,2-16,20,26-28H2,1H3
InChIKey PRVVJCDTCYFHHR-UHFFFAOYSA-N
Molecular Weight 530.212 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C1F)Cl)CCCCCCCCCCCCCCCCCC