| SpectraBase Compound ID | 7pcJLt7dj1i |
|---|---|
| InChI | InChI=1S/C18H19NO3S/c1-20-16-10-15(8-9-19-13-23)11-17(21-2)18(16)22-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3 |
| InChIKey | UUXZYVRBSWQELX-UHFFFAOYSA-N |
| Mol Weight | 329.41 g/mol |
| Molecular Formula | C18H19NO3S |
| Exact Mass | 329.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EyYftXfuTX6 |
|---|---|
| Name | bn Isothiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.108564647 u |
| Formula | C18H19NO3S |
| InChI | InChI=1S/C18H19NO3S/c1-20-16-10-15(8-9-19-13-23)11-17(21-2)18(16)22-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3 |
| InChIKey | UUXZYVRBSWQELX-UHFFFAOYSA-N |
| Molecular Weight | 329.414 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCN=C=S)OC)OCC1=CC=CC=C1 |