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Benzoic acid, 4-[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]-, cyclohexyl ester

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Benzoic acid, 4-[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]-, cyclohexyl ester
SpectraBase Compound ID 1ABVL8o0PXt
InChI InChI=1S/C25H31NO4/c1-25(2,3)19-11-15-21(16-12-19)29-17-23(27)26-20-13-9-18(10-14-20)24(28)30-22-7-5-4-6-8-22/h9-16,22H,4-8,17H2,1-3H3,(H,26,27)
InChIKey BNCCTFYEFXNVJV-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGPuQh6sEEx
Name Benzoic acid, 4-[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]-, cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.225308478 u
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-25(2,3)19-11-15-21(16-12-19)29-17-23(27)26-20-13-9-18(10-14-20)24(28)30-22-7-5-4-6-8-22/h9-16,22H,4-8,17H2,1-3H3,(H,26,27)
InChIKey BNCCTFYEFXNVJV-UHFFFAOYSA-N
Molecular Weight 409.526 g/mol
SMILES N(C(=O)COC1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C(OC2CCCCC2)=O)C=C1