| SpectraBase Spectrum ID |
1LJB2GSXYW |
| Name |
ADB-5'Br-BUTINACA-d9 |
| Catalog Number |
40310 |
| Lot Number |
698281 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.172579772 u |
| Formula |
C18H16D9BrN4O2 |
| InChI |
InChI=1S/C18H25BrN4O2/c1-5-6-9-23-13-8-7-11(19)10-12(13)14(22-23)17(25)21-15(16(20)24)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H2,20,24)(H,21,25)/t15-/m1/s1/i1D3,5D2,6D2,9D2 |
| InChIKey |
DIOILIVJIIJFPO-QINUNVLASA-N |
| Molecular Weight |
418.383 g/mol |
| Quality |
949 |
| SMILES |
N(C(C1=NN(C=2C=CC(=CC12)Br)C(C(C(C([D])([D])[D])([D])[D])([D])[D])([D])[D])=O)[C@](C(N)=O)(C(C)(C)C)[H] |
| SPLASH |
splash10-009l-3293000000-03ec2861030d29f8bafc |
| Source of Spectrum |
CAY-2024-2369-0 |
| Synonyms |
(2S)-2-({5-bromo-1-[(1,1,2,2,3,3,4,4,4-2H9)butyl]-1H-indazol-3-yl}formamido)-3,3-dimethylbutanamide |
| Wiley ID |
1890578 |
