SpectraBase Compound ID | JpwAQp6zCtE |
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InChI | InChI=1S/C15H19NO4/c1-10(2)13(15(19)20)16-14(18)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,18)(H,19,20) |
InChIKey | AJZQNJUUEVJUIC-UHFFFAOYSA-N |
Mol Weight | 277.32 g/mol |
Molecular Formula | C15H19NO4 |
Exact Mass | 277.131408 g/mol |
SpectraBase Spectrum ID | 4Na8tUmqei0 |
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Name | Valine, N-[2-oxo-4-phenylbutyryl]- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 277.131408092 u |
Formula | C15H19NO4 |
InChI | InChI=1S/C15H19NO4/c1-10(2)13(15(19)20)16-14(18)12(17)9-8-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,18)(H,19,20) |
InChIKey | AJZQNJUUEVJUIC-UHFFFAOYSA-N |
SMILES | C1(=CC=CC=C1)CCC(C(NC(C(O)=O)C(C)C)=O)=O |