| SpectraBase Compound ID | ajl18O7ZFD |
|---|---|
| InChI | InChI=1S/C9H8N2S/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)/i1D |
| InChIKey | MPFMDBDLIURSOD-MICDWDOJSA-N |
| Mol Weight | 177.24 g/mol |
| Molecular Formula | C9H7DN2S |
| Exact Mass | 177.047096 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3PQmmbtTCC |
|---|---|
| Name | 2-Deuteriomethyl-3H-quinazoline-4-thione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7DN2S |
| InChI | InChI=1S/C9H8N2S/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)/i1D |
| InChIKey | MPFMDBDLIURSOD-MICDWDOJSA-N |
| Molecular Weight | 177.243 g/mol |
| SMILES | N1C(c2c(N=C1C[D])cccc2)=S |
| SPLASH | splash10-002f-0900000000-2dee99d95b893e6ec3fa |
| Source of Spectrum | C5-2004-365-6 |
| Wiley ID | 1616517 |