| SpectraBase Spectrum ID |
DnSnKw87xdQ |
| Name |
Valine methyl ester |
| CAS Registry Number |
4070-48-8 |
| Classification |
Amino acid derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
131.094628661 u |
| Formula |
C6H13NO2 |
| InChI |
InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3 |
| InChIKey |
CEMZBWPSKYISTN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
131.175 g/mol |
| Nominal Mass |
131 u |
| Quality |
992 |
| Retention Index |
961 |
| SMILES |
NC(C(OC)=O)C(C)C |
| SPLASH |
splash10-00di-9000000000-5b81925591bd844355a2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-amino-3-methylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024880 |
