| SpectraBase Compound ID | zby2wqgvFR |
|---|---|
| InChI | InChI=1S/C17H13BrN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3/i2D,3D,4D,5D,6D |
| InChIKey | KCEIOBKDDQAYCM-VIQYUKPQSA-N |
| Mol Weight | 358.25 g/mol |
| Molecular Formula | C17H8D5BrN4 |
| Exact Mass | 357.063743 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HOmsP9iGnCN |
|---|---|
| Name | Bromazolam-d5 |
| Catalog Number | 37630 |
| Lot Number | 671645 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.063743164 u |
| Formula | C17H8D5BrN4 |
| InChI | InChI=1S/C17H13BrN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3/i2D,3D,4D,5D,6D |
| InChIKey | KCEIOBKDDQAYCM-VIQYUKPQSA-N |
| Molecular Weight | 358.254 g/mol |
| Quality | 932 |
| SMILES | CC1=NN=C2N1C1=CC=C(Br)C=C1C(=NC2)C1=C([D])C([D])=C([D])C([D])=C1[D] |
| SPLASH | splash10-0a7i-4896000000-ad0cb0ddb439feed5be1 |
| Source of Spectrum | CAY-2024-2174-0 |
| Synonyms | 8-bromo-1-methyl-6-(phenyl-d5)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine 12-bromo-3-methyl-9-[(2,3,4,5,6-2H5)phenyl]-2,4,5,8-tetraazatricyclo[8.4.0.0(2,6)]tetradeca-1(14),3,5,8,10,12-hexaene |
| Wiley ID | 1890554 |