| SpectraBase Compound ID | FtmqmwGp48w |
|---|---|
| InChI | InChI=1S/C12H19NS/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3 |
| InChIKey | QZMJMEZMADZAEL-UHFFFAOYSA-N |
| Mol Weight | 209.35 g/mol |
| Molecular Formula | C12H19NS |
| Exact Mass | 209.123821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5WLQgdzmTx |
|---|---|
| Name | N-Isopropyl-2-phenylsulfanylpropylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.123820790 u |
| Formula | C12H19NS |
| InChI | InChI=1S/C12H19NS/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3 |
| InChIKey | QZMJMEZMADZAEL-UHFFFAOYSA-N |
| Molecular Weight | 209.351 g/mol |
| SMILES | C=1(SCCCNC(C)C)C=CC=CC1 |