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but-2-Enoylamide, 3-methyl-N-(2-phenylethyl)-N-dodecyl-
SpectraBase Compound ID BlG7dEKuzwC
InChI InChI=1S/C25H41NO/c1-4-5-6-7-8-9-10-11-12-16-20-26(25(27)22-23(2)3)21-19-24-17-14-13-15-18-24/h13-15,17-18,22H,4-12,16,19-21H2,1-3H3
InChIKey GPKBLTBQAIQKNU-UHFFFAOYSA-N
Mol Weight 371.6 g/mol
Molecular Formula C25H41NO
Exact Mass 371.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ae0vFVIxOFQ
Name but-2-Enoylamide, 3-methyl-N-(2-phenylethyl)-N-dodecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.318814943 u
Formula C25H41NO
InChI InChI=1S/C25H41NO/c1-4-5-6-7-8-9-10-11-12-16-20-26(25(27)22-23(2)3)21-19-24-17-14-13-15-18-24/h13-15,17-18,22H,4-12,16,19-21H2,1-3H3
InChIKey GPKBLTBQAIQKNU-UHFFFAOYSA-N
Molecular Weight 371.609 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=C(C)C)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851842