SpectraBase Compound ID | Cuhnke8t3dm |
---|---|
InChI | InChI=1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3/i2D3 |
InChIKey | PMQFLWLYAXYFHG-BMSJAHLVSA-N |
Mol Weight | 145.13 g/mol |
Molecular Formula | C5H3D3N2O3 |
Exact Mass | 145.056672 g/mol |
SpectraBase Spectrum ID | 3uqdzo78t0I |
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Name | 5-(Deuteriomethyl)-3-methyl-4-nitroisoxazole |
CAS Registry Number | 108418-34-4 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C5H3D3N2O3 |
InChI | InChI=1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3/i2D3 |
InChIKey | PMQFLWLYAXYFHG-BMSJAHLVSA-N |
Molecular Weight | 145.132 g/mol |
SMILES | c1(onc(c1N(=O)=O)C)C([D])([D])[D] |
SPLASH | splash10-0007-9300000000-2c6f29fbb19528c76497 |
Source of Spectrum | J-52-3639-4 |
Wiley ID | 1140586 |