| SpectraBase Compound ID | Ko9gLjyezRB |
|---|---|
| InChI | InChI=1S/C15H14ClNS/c16-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18) |
| InChIKey | WFJMTBUIPSOUJQ-UHFFFAOYSA-N |
| Mol Weight | 275.8 g/mol |
| Molecular Formula | C15H14ClNS |
| Exact Mass | 275.053548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9R03H3gIXeC |
|---|---|
| Name | Benzeneethanethiamide, 4-chloro-N-benzyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.053548329 u |
| Formula | C15H14ClNS |
| InChI | InChI=1S/C15H14ClNS/c16-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18) |
| InChIKey | WFJMTBUIPSOUJQ-UHFFFAOYSA-N |
| Molecular Weight | 275.797 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)CC(NCC1=CC=CC=C1)=S |