| SpectraBase Spectrum ID |
5UlEx4NMcpE |
| Name |
Methyl (2S)-2-(((5-bromo-1-(pent-4-en-1-yl)-1H-indazol-3-yl)carbonyl)amino)-3,3-dimethylbutanoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
435.115754706 u |
| Formula |
C20H26BrN3O3 |
| InChI |
InChI=1S/C20H26BrN3O3/c1-6-7-8-11-24-15-10-9-13(21)12-14(15)16(23-24)18(25)22-17(19(26)27-5)20(2,3)4/h6,9-10,12,17H,1,7-8,11H2,2-5H3,(H,22,25)/t17-/m1/s1 |
| InChIKey |
QQPVWGDNYWFMDE-QGZVFWFLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
436.350 g/mol |
| Nominal Mass |
435 u |
| Quality |
930 |
| Retention Index |
3187 |
| SMILES |
[C@@](NC(C=1C=2C(N(N1)CCCC=C)=CC=C(C2)Br)=O)(C(C)(C)C)(C(OC)=O)[H] |
| SPLASH |
splash10-0006-1193000000-6c3ad6c608e243fd6402 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2S)-2-(((5-bromo-1-(pent-4-en-1-yl)-1H-indazol-3-yl)carbonyl)amino)-3,3-dimethylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034596 |
