| SpectraBase Compound ID | 75OcB1rQm1F |
|---|---|
| InChI | InChI=1S/C11H10OS/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h1,4-8H,3,9H2 |
| InChIKey | XCOIMFUNSVTZGS-UHFFFAOYSA-N |
| Mol Weight | 190.26 g/mol |
| Molecular Formula | C11H10OS |
| Exact Mass | 190.045236 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 | IJzp2lZL47N |
|---|---|
| Name | but-1-yn-4-yl Thiobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.045236115 u |
| Formula | C11H10OS |
| InChI | InChI=1S/C11H10OS/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h1,4-8H,3,9H2 |
| InChIKey | XCOIMFUNSVTZGS-UHFFFAOYSA-N |
| Molecular Weight | 190.260 g/mol |
| SMILES | C(=S)(C1=CC=CC=C1)OCCC#C |