| SpectraBase Compound ID | BLy7REe3pxt |
|---|---|
| InChI | InChI=1S/C13H11NO3S/c1-9-6-7-11(15)13(8-9)18-12-5-3-2-4-10(12)14(16)17/h2-8,15H,1H3 |
| InChIKey | SMSRXEQUMKGCOP-UHFFFAOYSA-N |
| Mol Weight | 261.29 g/mol |
| Molecular Formula | C13H11NO3S |
| Exact Mass | 261.045964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JiqhJpKkHTZ |
|---|---|
| Name | 4-Methyl-2-((2-nitrophenyl)thio)phenol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H11NO3S |
| InChI | InChI=1S/C13H11NO3S/c1-9-6-7-11(15)13(8-9)18-12-5-3-2-4-10(12)14(16)17/h2-8,15H,1H3 |
| InChIKey | SMSRXEQUMKGCOP-UHFFFAOYSA-N |
| Molecular Weight | 261.295 g/mol |
| SMILES | Oc1ccc(C)cc1Sc1ccccc1[N+]([O-])=O |
| SPLASH | splash10-0ufr-9600000000-3768a4eb655c705ad29d |
| Source of Spectrum | JX-2015-2-125 |
| Wiley ID | 1721878 |