SpectraBase Compound ID | 9S8QidRvO4s |
---|---|
InChI | InChI=1S/C10H12ClNOS/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13) |
InChIKey | RSJRMRRNTXMGPY-UHFFFAOYSA-N |
Mol Weight | 229.72 g/mol |
Molecular Formula | C10H12ClNOS |
Exact Mass | 229.032813 g/mol |
SpectraBase Spectrum ID | H1hMXAvilt4 |
---|---|
Name | 2-[(4-Chlorophenyl)sulfanyl]ethanamine, ac derivative |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 229.032812883 u |
Formula | C10H12ClNOS |
InChI | InChI=1S/C10H12ClNOS/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3,(H,12,13) |
InChIKey | RSJRMRRNTXMGPY-UHFFFAOYSA-N |
Molecular Weight | 229.725 g/mol |
SMILES | CC(=O)NCCSC=1C=CC(Cl)=CC1 |