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Melatonin

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 21 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 167LruMEX0a
Name melatonin
Alternate Name(s) Melatonin Melatonine Circadin Melovine Melatol Regulin N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide N-(2-(5-methoxy-1H-indol-3-yl)ethyl)acetamide
Comments CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000974
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 232.283 g/mol
SMILES N(CCc1c[nH]c2ccc(cc12)OC)C(C)=O
SPLASH splash10-0229-1900000000-d45b3fa1a3ca7b0fa73c
Source of Spectrum FM-2019-974-0
Wiley ID 1818634