SpectraBase Compound ID | 8tlI8Ds1uFf |
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InChI | InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13) |
InChIKey | KGVHCTWYMPWEGN-UHFFFAOYSA-N |
Mol Weight | 188.23 g/mol |
Molecular Formula | C8H16N2O3 |
Exact Mass | 188.116092 g/mol |
SpectraBase Spectrum ID | G8HkgHa0xMU |
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Name | N-Glycyl-dl-isoleucine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.116092380 u |
Formula | C8H16N2O3 |
InChI | InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13) |
InChIKey | KGVHCTWYMPWEGN-UHFFFAOYSA-N |
SMILES | OC(C(C(CC)C)NC(CN)=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.942397 |