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3-Acetamido-4-(hexadecyloxy)benzoic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

3-Acetamido-4-(hexadecyloxy)benzoic acid
SpectraBase Compound ID EpKGT5rFgwO
InChI InChI=1S/C25H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-24-18-17-22(25(28)29)20-23(24)26-21(2)27/h17-18,20H,3-16,19H2,1-2H3,(H,26,27)(H,28,29)
InChIKey LTRIPDLMQPZNTO-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KI3le1N16ZF
Name 3-Acetamido-4-(hexadecyloxy)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-24-18-17-22(25(28)29)20-23(24)26-21(2)27/h17-18,20H,3-16,19H2,1-2H3,(H,26,27)(H,28,29)
InChIKey LTRIPDLMQPZNTO-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES OC(C1=CC=C(C(=C1)NC(=O)C)OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.887804