![1-[1-(N,N-Dimethylaminoethyl)]-2-phenylsulfanylbenzonitrile](/api/spectrum/HDXk2vp0Pqb/structure.png?h=300&w=458 "1-[1-(N,N-Dimethylaminoethyl)]-2-phenylsulfanylbenzonitrile")
| SpectraBase Compound ID | KOyXoUnBTSW |
|---|---|
| InChI | InChI=1S/C16H19NS/c1-13(17(2)3)15-11-7-8-12-16(15)18-14-9-5-4-6-10-14/h4-13H,1-3H3 |
| InChIKey | QIEQNBCUFHOIPV-UHFFFAOYSA-N |
| Mol Weight | 257.39 g/mol |
| Molecular Formula | C16H19NS |
| Exact Mass | 257.123821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDXk2vp0Pqb |
|---|---|
| Name | 1-[1-(N,N-Dimethylaminoethyl)]-2-phenylsulfanylbenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.123820790 u |
| Formula | C16H19NS |
| InChI | InChI=1S/C16H19NS/c1-13(17(2)3)15-11-7-8-12-16(15)18-14-9-5-4-6-10-14/h4-13H,1-3H3 |
| InChIKey | QIEQNBCUFHOIPV-UHFFFAOYSA-N |
| Molecular Weight | 257.395 g/mol |
| SMILES | C=1(C(SC2=CC=CC=C2)=CC=CC1)C(N(C)C)C |