| SpectraBase Compound ID | 4FCaqT8HtE1 |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3/i1D2,2D3,8D |
| InChIKey | NFNBGZCLCQVHRY-BUGIPVGKSA-N |
| Mol Weight | 195.25 g/mol |
| Molecular Formula | C11H52D6NO2 |
| Exact Mass | 195.116639 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hyi4JUVfp9C |
|---|---|
| Name | p-Cyanobenzoic acid Isopropyl-D6 Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H5D6NO2 |
| InChI | InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3/i1D2,2D3,8D |
| InChIKey | NFNBGZCLCQVHRY-BUGIPVGKSA-N |
| Molecular Weight | 195.251 g/mol |
| SMILES | C(OC(C([2D])([2D])[2D])(C([2D])[2D])[2D])(c1ccc(C#N)cc1)=O |
| SPLASH | splash10-0udi-2900000000-facb82499ac5fc4a1d9c |
| Source of Spectrum | M-32-341-3 |
| Wiley ID | 1185728 |