| SpectraBase Spectrum ID |
FsS2gBX4TOm |
| Name |
Benzene, (isothiocyanatomethyl)- |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
149.029920403 u |
| Formula |
C8H7NS |
| InChI |
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey |
MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02297 |
| Molecular Weight |
149.211 g/mol |
| Quality |
727 |
| SMILES |
C1(=CC=CC=C1)CN=C=S |
| SPLASH |
splash10-0006-9100000000-db71308d9403c8c1a052 |
| Source of Spectrum |
JOC-88-SM8-19 (DOI: 10.1021/acs.joc.2c02297) |
| Wiley ID |
1912614 |
