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N-Dodecylsalicylamide, acetate (ester)

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

N-Dodecylsalicylamide, acetate (ester)
SpectraBase Compound ID HXCK9nl3O8s
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-11-14-17-22-21(24)19-15-12-13-16-20(19)25-18(2)23/h12-13,15-16H,3-11,14,17H2,1-2H3,(H,22,24)
InChIKey SQMXMTKXOJGMGL-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5CTo6K1euaw
Name N-Dodecylsalicylamide, acetate (ester)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.246043924 u
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-11-14-17-22-21(24)19-15-12-13-16-20(19)25-18(2)23/h12-13,15-16H,3-11,14,17H2,1-2H3,(H,22,24)
InChIKey SQMXMTKXOJGMGL-UHFFFAOYSA-N
Molecular Weight 347.499 g/mol
SMILES N(C(=O)C1=CC=CC=C1OC(C)=O)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.961257