Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester

SpectraBase Compound ID	FbcJRTUoURf
InChI	InChI=1S/C21H31NO3/c1-15-5-9-17(10-6-15)22-19(23)13-14-20(24)25-18-11-7-16(8-12-18)21(2,3)4/h5-6,9-10,16,18H,7-8,11-14H2,1-4H3,(H,22,23)
InChIKey	DVJBQIRYRHTNJR-UHFFFAOYSA-N Google Search
Mol Weight	345.48 g/mol
Molecular Formula	C21H31NO3
Exact Mass	345.230394 g/mol

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SpectraBase Spectrum ID	6gpe3fqXvYy
Name	Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, 4-(1,1-dimethylethyl)cyclohexyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	345.230393859 u
Formula	C21H31NO3
InChI	InChI=1S/C21H31NO3/c1-15-5-9-17(10-6-15)22-19(23)13-14-20(24)25-18-11-7-16(8-12-18)21(2,3)4/h5-6,9-10,16,18H,7-8,11-14H2,1-4H3,(H,22,23)
InChIKey	DVJBQIRYRHTNJR-UHFFFAOYSA-N
Molecular Weight	345.483 g/mol
SMILES	N(C(=O)CCC(OC1CCC(C(C)(C)C)CC1)=O)C=1C=CC(=CC1)C