| SpectraBase Compound ID | 7kqIBMpGKzj |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3,2D3,8D |
| InChIKey | GKOTWEXRHKVLLK-UNAVHCQLSA-N |
| Mol Weight | 185.27 g/mol |
| Molecular Formula | C11H72D7O2 |
| Exact Mass | 185.143317 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | oHs9GG2s3g |
|---|---|
| Name | 2-Propyl-1,1,1,2,3,3,3-D7 2-methylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H7D7O2 |
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3,2D3,8D |
| InChIKey | GKOTWEXRHKVLLK-UNAVHCQLSA-N |
| Molecular Weight | 185.274 g/mol |
| SMILES | C(c1c(C)cccc1)(OC(C([2D])([2D])[2D])(C([2D])([2D])[2D])[2D])=O |
| SPLASH | splash10-00kr-0900000000-9ca6b998c1276f29bd95 |
| Source of Spectrum | 0-16-126-2 |
| Wiley ID | 1174472 |