| SpectraBase Spectrum ID |
DjxOsqmNZk8 |
| Name |
N-Acetyl-isoleucine methyl ester |
| CAS Registry Number |
2256-76-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
187.120843408 u |
| Formula |
C9H17NO3 |
| InChI |
InChI=1S/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t6-,8-/m0/s1 |
| InChIKey |
JPQWQTHLAKUOOA-XPUUQOCRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
187.239 g/mol |
| Nominal Mass |
187 u |
| Quality |
796 |
| Retention Index |
1396 |
| SMILES |
[C@](NC(=O)C)(C(OC)=O)([C@](CC)(C)[H])[H] |
| SPLASH |
splash10-002r-9300000000-f8c7b59dbc49368ce207 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2S,3S)-2-(acetylamino)-3-methylpentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003135 |
