SpectraBase Compound ID | 67BIH3d00P6 |
---|---|
InChI | InChI=1S/C7H15NO/c1-4-7(8-3)5-6(2)9/h7-8H,4-5H2,1-3H3/t7-/m0/s1 |
InChIKey | XQYQABVPFWOITO-ZETCQYMHSA-N |
Mol Weight | 129.2 g/mol |
Molecular Formula | C7H15NO |
Exact Mass | 129.115364 g/mol |
SpectraBase Spectrum ID | J2DHliYOdxO |
---|---|
Name | Poly[(-)-S-beta-aminopentanoic acid] |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 129.115364106 u |
Formula | C7H15NO |
InChI | InChI=1S/C7H15NO/c1-4-7(8-3)5-6(2)9/h7-8H,4-5H2,1-3H3/t7-/m0/s1 |
InChIKey | XQYQABVPFWOITO-ZETCQYMHSA-N |
Molecular Weight | 129.203 g/mol |
Nominal Mass | 129 u |
SMILES | N([C@]([H])(CC(=O)C)CC)C |
Spectrum/Structure Validation Score (Raman) | 0.968562 |