Propanoic acid, 2-[(1-cyclohexylethyl)carbamoyl]-, ethyl ester

SpectraBase Compound ID	F3i5pfXdq1F
InChI	InChI=1S/C14H25NO3/c1-4-18-14(17)10(2)13(16)15-11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKey	VHAKHIFIJYZLKW-UHFFFAOYSA-N Google Search
Mol Weight	255.36 g/mol
Molecular Formula	C14H25NO3
Exact Mass	255.183444 g/mol

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SpectraBase Spectrum ID	E0gIefOGvke
Name	Propanoic acid, 2-[(1-cyclohexylethyl)carbamoyl]-, ethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	255.183443666 u
Formula	C14H25NO3
InChI	InChI=1S/C14H25NO3/c1-4-18-14(17)10(2)13(16)15-11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKey	VHAKHIFIJYZLKW-UHFFFAOYSA-N
Molecular Weight	255.358 g/mol
SMILES	C1(CCCCC1)C(NC(C(C)C(OCC)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.800101