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4-Phenethylcarbamoylbutyric acid, 4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Phenethylcarbamoylbutyric acid, 4-tert-butylcyclohexyl ester
SpectraBase Compound ID 8wg1w1WMbxh
InChI InChI=1S/C23H35NO3/c1-23(2,3)19-12-14-20(15-13-19)27-22(26)11-7-10-21(25)24-17-16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,24,25)
InChIKey LYEJNXXXVAUDRC-UHFFFAOYSA-N
Mol Weight 373.5 g/mol
Molecular Formula C23H35NO3
Exact Mass 373.261694 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cl8QZmK2SnT
Name 4-Phenethylcarbamoylbutyric acid, 4-tert-butylcyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.261693988 u
Formula C23H35NO3
InChI InChI=1S/C23H35NO3/c1-23(2,3)19-12-14-20(15-13-19)27-22(26)11-7-10-21(25)24-17-16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,24,25)
InChIKey LYEJNXXXVAUDRC-UHFFFAOYSA-N
Molecular Weight 373.537 g/mol
SMILES C(CC(NCCC1=CC=CC=C1)=O)CC(OC1CCC(C(C)(C)C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943311