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Melatonin 2TFA
SpectraBase Compound ID CVhLSFeE6gE
InChI InChI=1S/C17H14F6N2O4/c1-9(26)24(14(27)16(18,19)20)6-5-10-8-25(15(28)17(21,22)23)13-4-3-11(29-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3
InChIKey OBGMYDIQXWZJOO-UHFFFAOYSA-N
Mol Weight 424.3 g/mol
Molecular Formula C17H14F6N2O4
Exact Mass 424.085776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcrWRNSojl6
Name Trifluoroacetyl derivative of melatonin
Alternate Name(s) N-acetyl-2,2,2-trifluoro-N-{2-[5-methoxy-1-(trifluoroacetyl)-1H-indol-3-yl]ethyl}acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F6N2O4
InChI InChI=1S/C17H14F6N2O4/c1-9(26)24(14(27)16(18,19)20)6-5-10-8-25(15(28)17(21,22)23)13-4-3-11(29-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3
InChIKey OBGMYDIQXWZJOO-UHFFFAOYSA-N
Molecular Weight 424.299 g/mol
SMILES C([n]1cc(CCN(C(C(F)(F)F)=O)C(=O)C)c2c1ccc(OC)c2)(C(F)(F)F)=O
SPLASH splash10-01b9-1492300000-6d416999b2de6286de05
Source of Spectrum KO-7-235-8
Wiley ID 1379085