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Melatonin
SpectraBase Compound ID LBtbMBVparw
InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKey DRLFMBDRBRZALE-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GF1fDBb5aJx
Name Melatonin
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.121177761 u
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKey DRLFMBDRBRZALE-UHFFFAOYSA-N
Instrument Name Benchtop RAM II FT-IR Raman module (Bruker Nederland BV., Leiderdorp, The Netherlands) coupled to a FT-IR VERTEX 70 spectrometer
Literature Reference Rizzo, Serena; Weesepoel, Yannick; Erasmus, Sara; Sinkeldam, Joost; Piccinelli, Anna Lisa; van Ruth, Saskia (2023), “Dataset of Raman and Surface-enhanced Raman Spectroscopy spectra of illicit adulterants added to dietary supplements”, Wageningen University, V1, doi: 10.17632/y4md8znppn.1
Literature Reference DOI https://www.doi.org/10.17632/y4md8znppn.1
Molecular Weight 232.283 g/mol
SMILES N(CCC=1C2=C(NC1)C=CC(=C2)OC)C(=O)C
Source of Spectrum Mendeley