| SpectraBase Compound ID | K00QoXyytxv |
|---|---|
| InChI | InChI=1S/C9H18O2S2/c1-9(2,3)13-12-7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11) |
| InChIKey | LIDFVCNFMNWWAI-UHFFFAOYSA-N |
| Mol Weight | 222.36 g/mol |
| Molecular Formula | C9H18O2S2 |
| Exact Mass | 222.074822 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KxmDc21Au3u |
|---|---|
| Name | 5-(tert-butyldisulfanyl)pentanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2S2 |
| InChI | InChI=1S/C9H18O2S2/c1-9(2,3)13-12-7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11) |
| InChIKey | LIDFVCNFMNWWAI-UHFFFAOYSA-N |
| Molecular Weight | 222.361 g/mol |
| SMILES | OC(=O)CCCCSSC(C)(C)C |
| SPLASH | splash10-0a4i-9410000000-642f29191b4d716f83e1 |
| Source of Spectrum | KC-0-1514-6 |
| Synonyms | 5-(tert-butyldisulfanyl)valeric acid |
| Wiley ID | 821501 |