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2'-(Hexadecyloxy)acetoacetanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2'-(Hexadecyloxy)acetoacetanilide
SpectraBase Compound ID D08QZHV4mbH
InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-20-17-16-19-24(25)27-26(29)22-23(2)28/h16-17,19-20H,3-15,18,21-22H2,1-2H3,(H,27,29)
InChIKey SBHCWTHAYDWYGI-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HyvCIapVaO2
Name 2'-(Hexadecyloxy)acetoacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.324294246 u
Formula C26H43NO3
InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-20-17-16-19-24(25)27-26(29)22-23(2)28/h16-17,19-20H,3-15,18,21-22H2,1-2H3,(H,27,29)
InChIKey SBHCWTHAYDWYGI-UHFFFAOYSA-N
Molecular Weight 417.634 g/mol
SMILES N(C=1C(=CC=CC1)OCCCCCCCCCCCCCCCC)C(CC(C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.919049