| SpectraBase Spectrum ID |
AHeWY1Xq5JL |
| Name |
1-Phenylethyl isothiocyanate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H9NS |
| InChI |
InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3 |
| InChIKey |
QQCJPTVZIZVKEZ-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.6 |
| Molecular Weight |
163.238 g/mol |
| SMILES |
C(N=C=S)(c1ccccc1)C |
| SPLASH |
splash10-0a4i-2900000000-cabeaabbbc030ff3e5f7 |
| Source of Spectrum |
BJO-8-SM9-9-1 |
| Wiley ID |
1867390 |
