| SpectraBase Compound ID | I4ofrxemEKU |
|---|---|
| InChI | InChI=1S/C7H7NO3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 |
| InChIKey | JECOZFMBKQJNDT-UHFFFAOYSA-N |
| Mol Weight | 185.2 g/mol |
| Molecular Formula | C7H7NO3S |
| Exact Mass | 185.014664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6tKz3qBa3sW |
|---|---|
| Name | 1-Methylsulfinyl-2-nitro-benzene |
| CAS Registry Number | 19199-94-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H7NO3S |
| InChI | InChI=1S/C7H7NO3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 |
| InChIKey | JECOZFMBKQJNDT-UHFFFAOYSA-N |
| Molecular Weight | 185.197 g/mol |
| SMILES | c1(N(=O)=O)c(S(=O)C)cccc1 |
| SPLASH | splash10-0a4i-0900000000-9217beb2be2085a1d29e |
| Source of Spectrum | C5-2002-1069-2 |
| Wiley ID | 1614648 |