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

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Valeramide, N-(2-phenylethyl)-N-heptyl-
SpectraBase Compound ID FKoqhA5SCXS
InChI InChI=1S/C20H33NO/c1-3-5-7-8-12-17-21(20(22)15-6-4-2)18-16-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3
InChIKey YBAJNEACXNWLTN-UHFFFAOYSA-N
Mol Weight 303.5 g/mol
Molecular Formula C20H33NO
Exact Mass 303.256215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID sgpjXPzIdw
Name Valeramide, N-(2-phenylethyl)-N-heptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.256214686 u
Formula C20H33NO
InChI InChI=1S/C20H33NO/c1-3-5-7-8-12-17-21(20(22)15-6-4-2)18-16-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3
InChIKey YBAJNEACXNWLTN-UHFFFAOYSA-N
SMILES C1=C(C=CC=C1)CCN(C(=O)CCCC)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96203