| SpectraBase Compound ID | AljHEGvagDe |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3/i2D3 |
| InChIKey | DCKVNWZUADLDEH-BMSJAHLVSA-N |
| Mol Weight | 119.18 g/mol |
| Molecular Formula | C6H9D3O2 |
| Exact Mass | 119.10256 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4VuV0IN8oUe |
|---|---|
| Name | 2-Butan-1,1,1-D3-ol, acetate |
| Alternate Name(s) | 1,1,1-D3-sec-butyl acetate |
| CAS Registry Number | 53897-36-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9D3O2 |
| InChI | InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3/i2D3 |
| InChIKey | DCKVNWZUADLDEH-BMSJAHLVSA-N |
| Molecular Weight | 119.178 g/mol |
| SMILES | C(=O)(OC(CC)C([D])([D])[D])C |
| SPLASH | splash10-0006-9000000000-52d9f8e3d4523aa78817 |
| Source of Spectrum | AA-0-471-4 |
| Wiley ID | 3507 |