| SpectraBase Spectrum ID |
6n4wX9pvZaq |
| Name |
Octane, 1-isothiocyanato- |
| Alternate Name(s) |
1-Isothiocyanatooctane
Isothiocyanic acid, octyl ester
n-Octyl isothiocyanate
Octyl isothiocyanate
EINECS 224-625-5 |
| CAS Registry Number |
4430-45-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H17NS |
| InChI |
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3 |
| InChIKey |
YEZHGQZHWKJPCM-UHFFFAOYSA-N |
| Molecular Weight |
171.302 g/mol |
| SMILES |
CCCCCCCCN=C=S |
| SPLASH |
splash10-00kf-9400000000-8d8a7fa7a671e97ce419 |
| Source of Spectrum |
DC-0-11-9 |
| Wiley ID |
15901 |
