| SpectraBase Compound ID | 7g6HtJEZWKb |
|---|---|
| InChI | InChI=1S/C6H11NO2S/c8-6(9)5-4-10-3-1-2-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 |
| InChIKey | MSPWIJQSKZMXIV-RXMQYKEDSA-N |
| Mol Weight | 161.22 g/mol |
| Molecular Formula | C6H11NO2S |
| Exact Mass | 161.05105 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5f3MZhpVsO4 |
|---|---|
| Name | (3S)-1,4-thiazepane-3-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H11NO2S |
| InChI | InChI=1S/C6H11NO2S/c8-6(9)5-4-10-3-1-2-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 |
| InChIKey | MSPWIJQSKZMXIV-RXMQYKEDSA-N |
| Molecular Weight | 161.219 g/mol |
| SMILES | OC([C@@]1(NCCCSC1)[H])=O |
| SPLASH | splash10-014i-5900000000-f599a7f24ceff8432d2b |
| Source of Spectrum | QC-17-1779-4 |
| Wiley ID | 1638334 |