![4-(benzo[b]thiophen-2-ylmethyl)-N,N-dimethylaniline](/api/spectrum/1qLTHxSOlRN/structure.png?h=300&w=458 "4-(benzo[b]thiophen-2-ylmethyl)-N,N-dimethylaniline")
| SpectraBase Compound ID | 46hJNQzcjrW |
|---|---|
| InChI | InChI=1S/C17H17NS/c1-18(2)15-9-7-13(8-10-15)11-16-12-14-5-3-4-6-17(14)19-16/h3-10,12H,11H2,1-2H3 |
| InChIKey | PAGQDVKOQSRCSR-UHFFFAOYSA-N |
| Mol Weight | 267.39 g/mol |
| Molecular Formula | C17H17NS |
| Exact Mass | 267.108171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qLTHxSOlRN |
|---|---|
| Name | 4-(Benzo[B]thiophen-2-ylmethyl)-N,N-dimethylaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.108170725 u |
| Formula | C17H17NS |
| InChI | InChI=1S/C17H17NS/c1-18(2)15-9-7-13(8-10-15)11-16-12-14-5-3-4-6-17(14)19-16/h3-10,12H,11H2,1-2H3 |
| InChIKey | PAGQDVKOQSRCSR-UHFFFAOYSA-N |
| Molecular Weight | 267.390 g/mol |
| SMILES | C=1C=C2C=C(CC3=CC=C(C=C3)N(C)C)SC2=CC1 |