| SpectraBase Spectrum ID |
9Vt7rwfqICS |
| Name |
methyl 4-thiocyanatobenzoate |
| Appearance |
Pale orange solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
193.019749641 u |
| Formula |
C9H7NO2S |
| GC Column |
HP-5 (30 m x 320 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)13-6-10/h2-5H,1H3 |
| InChIKey |
CPAZOYIAWSRFOV-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503915 |
| Molecular Weight |
193.220 g/mol |
| Quality |
342 |
| Reported Formula |
C9H7NO2S |
| SMILES |
COC(C1=CC=C(C=C1)SC#N)=O |
| SPLASH |
splash10-03dl-0900000000-a81ed96b645d6105f5a4 |
| Source of Spectrum |
QE-21-SM10-1f (DOI: 10.1002/chem.201503915) |
| Wiley ID |
1907334 |
