| SpectraBase Compound ID | 7StIcNOJzas |
|---|---|
| InChI | InChI=1S/C7H12O3S/c1-6(8)11-5-3-2-4-7(9)10/h2-5H2,1H3,(H,9,10) |
| InChIKey | MAXPMOBLPKHFSB-UHFFFAOYSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C7H12O3S |
| Exact Mass | 176.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B4E3nRHHCj2 |
|---|---|
| Name | 5-(Acetylthio)pentanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O3S |
| InChI | InChI=1S/C7H12O3S/c1-6(8)11-5-3-2-4-7(9)10/h2-5H2,1H3,(H,9,10) |
| InChIKey | MAXPMOBLPKHFSB-UHFFFAOYSA-N |
| Molecular Weight | 176.230 g/mol |
| SMILES | OC(CCCCSC(=O)C)=O |
| SPLASH | splash10-00lr-9600000000-18086ee1368c4a2b2d7d |
| Source of Spectrum | KC-0-1515-20 |
| Synonyms | 5-(acetylthio)valeric acid 5-Ethanoylsulfanylpentanoic acid |
| Wiley ID | 821491 |