SpectraBase Compound ID | H68lodgn7qr |
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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)/i1D3/hD |
InChIKey | DRLFMBDRBRZALE-GUEYOVJQSA-N |
Mol Weight | 236.31 g/mol |
Molecular Formula | C13H122D4N2O2 |
Exact Mass | 236.146285 g/mol |
SpectraBase Spectrum ID | 3JTUeCDIFql |
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Name | Melatonin-D4 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H12D4N2O2 |
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)/i1D3/hD |
InChIKey | DRLFMBDRBRZALE-GUEYOVJQSA-N |
Molecular Weight | 236.307 g/mol |
SMILES | [nH]1c2c(c(c1)CCN(C(=O)C([2D])([2D])[2D])[2D])cc(cc2)OC |
SPLASH | splash10-01t9-1900000000-b59dc3cf4ef15366f45f |
Source of Spectrum | BS-4-152-0 |
Wiley ID | 98329 |