SpectraBase Compound ID | uWCtvI3Wll |
---|---|
InChI | InChI=1S/C7H13NO3S/c1-5(9)6(8-2)3-12-4-7(10)11/h6,8H,3-4H2,1-2H3,(H,10,11) |
InChIKey | WMCBCKAJVDSHNW-UHFFFAOYSA-N |
Mol Weight | 191.25 g/mol |
Molecular Formula | C7H13NO3S |
Exact Mass | 191.061614 g/mol |
SpectraBase Spectrum ID | 91LKT1VIL8k |
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Name | Poly[S-(carboxymethyl)-L-cysteine] |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 191.061614454 u |
Formula | C7H13NO3S |
InChI | InChI=1S/C7H13NO3S/c1-5(9)6(8-2)3-12-4-7(10)11/h6,8H,3-4H2,1-2H3,(H,10,11) |
InChIKey | WMCBCKAJVDSHNW-UHFFFAOYSA-N |
Molecular Weight | 191.245 g/mol |
Nominal Mass | 191 u |
SMILES | N(C)C(CSCC(O)=O)C(C)=O |
Spectrum/Structure Validation Score (Raman) | 0.977185 |