| SpectraBase Spectrum ID |
DYzCc7b035T |
| Name |
1-Isothiocyanatoheptane |
| Alternate Name(s) |
Heptane, 1-isothiocyanato-
Heptyl isothiocyanate
n-Heptyl isothiocyanate
AI3-28262
EINECS 224-610-3 |
| CAS Registry Number |
4426-83-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H15NS |
| InChI |
InChI=1S/C8H15NS/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3 |
| InChIKey |
LIPUQNPCPLDDBO-UHFFFAOYSA-N |
| Molecular Weight |
157.275 g/mol |
| SMILES |
CCCCCCCN=C=S |
| SPLASH |
splash10-06dl-9500000000-2ee65555741f487f5745 |
| Source of Spectrum |
W5-0-0-0 |
| Wiley ID |
1154676 |
