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Benzoic acid, 4-[[(4-bromo-3-methylphenoxy)acetyl]amino]-, cyclohexyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-[[(4-bromo-3-methylphenoxy)acetyl]amino]-, cyclohexyl ester
SpectraBase Compound ID 4ulvP1rXbi1
InChI InChI=1S/C22H24BrNO4/c1-15-13-19(11-12-20(15)23)27-14-21(25)24-17-9-7-16(8-10-17)22(26)28-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,25)
InChIKey VKLXNSFBSCLQMF-UHFFFAOYSA-N
Mol Weight 446.34 g/mol
Molecular Formula C22H24BrNO4
Exact Mass 445.088871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a1ZaA2Duzo
Name Benzoic acid, 4-[[(4-bromo-3-methylphenoxy)acetyl]amino]-, cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.088871253 u
Formula C22H24BrNO4
InChI InChI=1S/C22H24BrNO4/c1-15-13-19(11-12-20(15)23)27-14-21(25)24-17-9-7-16(8-10-17)22(26)28-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,25)
InChIKey VKLXNSFBSCLQMF-UHFFFAOYSA-N
Molecular Weight 446.341 g/mol
SMILES N(C(=O)COC=1C=C(C)C(=CC1)Br)C1=CC=C(C(OC2CCCCC2)=O)C=C1