SpectraBase Compound ID | EuX0QlacPoE |
---|---|
InChI | InChI=1S/C7H15NOS/c1-4-10-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3 |
InChIKey | FDMROBUDBWSKTI-UHFFFAOYSA-N |
Mol Weight | 161.26 g/mol |
Molecular Formula | C7H15NOS |
Exact Mass | 161.087435 g/mol |
SpectraBase Spectrum ID | AYADyGVIkSJ |
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Name | Poly(S-ethyl-L-cysteine) |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 161.087435280 u |
Formula | C7H15NOS |
InChI | InChI=1S/C7H15NOS/c1-4-10-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3 |
InChIKey | FDMROBUDBWSKTI-UHFFFAOYSA-N |
Molecular Weight | 161.263 g/mol |
Nominal Mass | 161 u |
SMILES | N(C)C(CSCC)C(C)=O |
Spectrum/Structure Validation Score (Raman) | 0.910453 |