| SpectraBase Compound ID | IUNKE3gFQ6M |
|---|---|
| InChI | InChI=1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H/i2D,5D,6D |
| InChIKey | RCIBIGQXGCBBCT-UJESMPABSA-N |
| Mol Weight | 106.14 g/mol |
| Molecular Formula | C7H2D3N |
| Exact Mass | 106.061029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K2NsPrv8Tcz |
|---|---|
| Name | 1,3,5-Trideuterio-2-isocyano-benzene |
| CAS Registry Number | 51524-87-9 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H2D3N |
| InChI | InChI=1S/C7H5N/c1-8-7-5-3-2-4-6-7/h2-6H/i2D,5D,6D |
| InChIKey | RCIBIGQXGCBBCT-UJESMPABSA-N |
| Molecular Weight | 106.142 g/mol |
| SMILES | c1([N+]#[C-])c(cc(cc1[D])[D])[D] |
| SPLASH | splash10-0a6r-9500000000-c0c7c08e1dbbb14d8d92 |
| Source of Spectrum | T-68-769-0 |
| Synonyms | Isocyanobenzene-2,4,6-D3 |
| Wiley ID | 2054 |