| SpectraBase Compound ID | Eh3QCAAp9sy |
|---|---|
| InChI | InChI=1S/C15H22N2OS/c18-12-14-8-4-5-11-17(14)15(19)16-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2,(H,16,19) |
| InChIKey | MPWVVYDVDVHOKA-UHFFFAOYSA-N |
| Mol Weight | 278.41 g/mol |
| Molecular Formula | C15H22N2OS |
| Exact Mass | 278.145285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3sIQslL1i2 |
|---|---|
| Name | 2-(Hydroxymethyl)-N-(2-phenylethyl)-1-piperidinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.145284509 u |
| Formula | C15H22N2OS |
| InChI | InChI=1S/C15H22N2OS/c18-12-14-8-4-5-11-17(14)15(19)16-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2,(H,16,19) |
| InChIKey | MPWVVYDVDVHOKA-UHFFFAOYSA-N |
| SMILES | C=1C=CC(CCNC(N2C(CO)CCCC2)=S)=CC1 |