| SpectraBase Compound ID | 9oIsDuq6Be5 |
|---|---|
| InChI | InChI=1S/C8H12O2S/c1-2-3-4-8-5-6-11(9,10)7-8/h5-7H,2-4H2,1H3 |
| InChIKey | CEPJBGYLOWSOAX-UHFFFAOYSA-N |
| Mol Weight | 172.24 g/mol |
| Molecular Formula | C8H12O2S |
| Exact Mass | 172.055801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4js3tLtX2sJ |
|---|---|
| Name | 3-n-Butylthiophene-1,1-dioxide |
| CAS Registry Number | 142076-45-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O2S |
| InChI | InChI=1S/C8H12O2S/c1-2-3-4-8-5-6-11(9,10)7-8/h5-7H,2-4H2,1H3 |
| InChIKey | CEPJBGYLOWSOAX-UHFFFAOYSA-N |
| Molecular Weight | 172.242 g/mol |
| SMILES | C=1S(C=CC1CCCC)(=O)=O |
| SPLASH | splash10-001i-6900000000-5a4f032b3d0e2dec65d1 |
| Source of Spectrum | O-27-489-0 |
| Wiley ID | 1168396 |