| SpectraBase Compound ID | 1A27boF2tMa |
|---|---|
| InChI | InChI=1S/C17H17NS/c1-2-12-19-17-11-7-6-10-16(17)14-18-13-15-8-4-3-5-9-15/h1,3-11,18H,12-14H2 |
| InChIKey | VRNWFZLZVFAMHE-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 | DSANsawUXIC |
|---|---|
| Name | N-Benzyl-1-(2-(prop-2-yn-1-ylthio)phenyl)methanamine |
| 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/c1-2-12-19-17-11-7-6-10-16(17)14-18-13-15-8-4-3-5-9-15/h1,3-11,18H,12-14H2 |
| InChIKey | VRNWFZLZVFAMHE-UHFFFAOYSA-N |
| Molecular Weight | 267.390 g/mol |
| SMILES | C=1C=C(C(=CC1)SCC#C)CNCC1=CC=CC=C1 |