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Valeramide, 2-methyl-N-(2-phenylethyl)-N-(2-heptyl)-

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

Valeramide, 2-methyl-N-(2-phenylethyl)-N-(2-heptyl)-
SpectraBase Compound ID LLqka7TMujm
InChI InChI=1S/C21H35NO/c1-5-7-9-13-19(4)22(21(23)18(3)12-6-2)17-16-20-14-10-8-11-15-20/h8,10-11,14-15,18-19H,5-7,9,12-13,16-17H2,1-4H3
InChIKey GBSWCZOIRVWMGX-UHFFFAOYSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LiVxZ1l4UKK
Name Valeramide, 2-methyl-N-(2-phenylethyl)-N-(2-heptyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-5-7-9-13-19(4)22(21(23)18(3)12-6-2)17-16-20-14-10-8-11-15-20/h8,10-11,14-15,18-19H,5-7,9,12-13,16-17H2,1-4H3
InChIKey GBSWCZOIRVWMGX-UHFFFAOYSA-N
Molecular Weight 317.517 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)C(CCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946423