| SpectraBase Compound ID | HwC2TniUdmf |
|---|---|
| InChI | InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1 |
| InChIKey | SIEHZFPZQUNSAS-GCVUPTOQSA-N |
| Mol Weight | 339.5 g/mol |
| Molecular Formula | C19H33NO2S |
| Exact Mass | 339.2232 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KcbNmY4E2SA |
|---|---|
| Name | S-Farnesylcysteine methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.223200479 u |
| Formula | C19H33NO2S |
| InChI | InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1 |
| InChIKey | SIEHZFPZQUNSAS-GCVUPTOQSA-N |
| Molecular Weight | 339.538 g/mol |
| SMILES | C([C@@](N)(CSC\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919529 |