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

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Valeramide, N-(2-phenylethyl)-N-propyl-
SpectraBase Compound ID DjO0ATvALEh
InChI InChI=1S/C16H25NO/c1-3-5-11-16(18)17(13-4-2)14-12-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3
InChIKey HTMQCXZFISELLZ-UHFFFAOYSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3VdzNP3hZ9l
Name Valeramide, N-(2-phenylethyl)-N-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.193614428 u
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-3-5-11-16(18)17(13-4-2)14-12-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3
InChIKey HTMQCXZFISELLZ-UHFFFAOYSA-N
Molecular Weight 247.382 g/mol
SMILES C1=C(C=CC=C1)CCN(C(=O)CCCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809211