| SpectraBase Spectrum ID |
8IHEBWOYYPw |
| Name |
Isoleucine methyl ester |
| CAS Registry Number |
2577-46-0 |
| Classification |
Amino acid derivative |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
145.110278725 u |
| Formula |
C7H15NO2 |
| InChI |
InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5?,6-/m0/s1 |
| InChIKey |
YXMMTUJDQTVJEN-GDVGLLTNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
145.202 g/mol |
| Nominal Mass |
145 u |
| Quality |
993 |
| Retention Index |
1061 |
| SMILES |
N[C@](C(OC)=O)(C(CC)C)[H] |
| SPLASH |
splash10-000i-9000000000-d30daf502d763157da85 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2S)-2-amino-3-methylpentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024892 |
