| SpectraBase Compound ID | ASz0R0vN2oO |
|---|---|
| InChI | InChI=1S/C14H20N2S/c1-11-6-7-13(12(2)10-11)15-14(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17) |
| InChIKey | HXBCRRCOOKPBKK-UHFFFAOYSA-N |
| Mol Weight | 248.39 g/mol |
| Molecular Formula | C14H20N2S |
| Exact Mass | 248.13472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmsnfVgZocT |
|---|---|
| Name | Thio-1-piperidinecarboxy-2',4'-xylidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.134719826 u |
| Formula | C14H20N2S |
| InChI | InChI=1S/C14H20N2S/c1-11-6-7-13(12(2)10-11)15-14(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17) |
| InChIKey | HXBCRRCOOKPBKK-UHFFFAOYSA-N |
| Molecular Weight | 248.388 g/mol |
| SMILES | N(C1=C(C=C(C=C1)C)C)C(N1CCCCC1)=S |