| SpectraBase Compound ID | cihPTR68Pp |
|---|---|
| InChI | InChI=1S/C20H31NS/c1-3-5-9-14-21(15-10-6-4-2)16-13-18-17-22-20-12-8-7-11-19(18)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3 |
| InChIKey | MFZPWCPWEAFPPR-UHFFFAOYSA-N |
| Mol Weight | 317.54 g/mol |
| Molecular Formula | C20H31NS |
| Exact Mass | 317.217721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 769upFZxwpx |
|---|---|
| Name | N,N-Dipentyl-2-(1-benzothiophene-3-yl)ethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.217721176 u |
| Formula | C20H31NS |
| InChI | InChI=1S/C20H31NS/c1-3-5-9-14-21(15-10-6-4-2)16-13-18-17-22-20-12-8-7-11-19(18)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3 |
| InChIKey | MFZPWCPWEAFPPR-UHFFFAOYSA-N |
| Molecular Weight | 317.535 g/mol |
| SMILES | C=12C(=CSC2=CC=CC1)CCN(CCCCC)CCCCC |