| SpectraBase Compound ID | AalTPfOpByH |
|---|---|
| InChI | InChI=1S/C9H6BrNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2 |
| InChIKey | PIXLLQKMZXDTOU-UHFFFAOYSA-N |
| Mol Weight | 256.12 g/mol |
| Molecular Formula | C9H6BrNOS |
| Exact Mass | 254.935348 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KMSMhNzdxoh |
|---|---|
| Name | 1-(4-Bromophenyl)-2-thiocyanatoethanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6BrNOS |
| InChI | InChI=1S/C9H6BrNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2 |
| InChIKey | PIXLLQKMZXDTOU-UHFFFAOYSA-N |
| Molecular Weight | 256.117 g/mol |
| SMILES | C(CSC#N)(c1ccc(cc1)Br)=O |
| SPLASH | splash10-0019-0900000000-40723b0651ecba143fd5 |
| Source of Spectrum | QA-55-1206-3e |
| Synonyms | 1-(4-bromophenyl)-2-thiocyanatoethan-1-one |
| Wiley ID | 1796500 |