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Glutaric acid, monoamide, N-(2-phenylpropyl)-, isobutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, monoamide, N-(2-phenylpropyl)-, isobutyl ester
SpectraBase Compound ID 1JlJhRcvMyg
InChI InChI=1S/C18H27NO3/c1-14(2)13-22-18(21)11-7-10-17(20)19-12-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,19,20)
InChIKey HDJWBHJOCZKVBW-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6Nt0DoIsUUt
Name Glutaric acid, monoamide, N-(2-phenylpropyl)-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-14(2)13-22-18(21)11-7-10-17(20)19-12-15(3)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,19,20)
InChIKey HDJWBHJOCZKVBW-UHFFFAOYSA-N
Molecular Weight 305.418 g/mol
SMILES C1=CC=C(C=C1)C(CNC(CCCC(OCC(C)C)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943391