| SpectraBase Spectrum ID |
6NLlqHuFZfa |
| Name |
3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic-2,6-d2 acid |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11D2BrN2O2 |
| InChI |
InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)7-10-4-3-5-11(6-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)/i5D,6D |
| InChIKey |
HSTGVTRSHDNWHK-KCZCTXNHSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902051 |
| Molecular Weight |
311.175 g/mol |
| Reported Formula |
C13H11(81)BrD2N2O2 |
| SMILES |
OC(c1c(ccc(c1[D])C[n]1nc(c(c1C)Br)C)[D])=O |
| SPLASH |
splash10-03di-0009000000-702c3ee7ec7bb7e61466 |
| Source of Spectrum |
CCC-12-SM25-[D]2-4 |
| Wiley ID |
1839792 |
![3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic-2,6-d2 acid](/api/spectrum/6NLlqHuFZfa/structure.png?h=300&w=458 "3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic-2,6-d2 acid")
