| SpectraBase Spectrum ID |
GEijetFZYWI |
| Name |
Phenyl ethane<1-nitro-2-> |
| CAS Registry Number |
6125-24-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
151.063328532 u |
| Formula |
C8H9NO2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey |
XAWCLWKTUKMCMO-UHFFFAOYSA-N |
| Molecular Weight |
151.165 g/mol |
| Nominal Mass |
151 u |
| Number of Peaks |
82 |
| SMILES |
c1cc(ccc1)CCN(=O)=O |
| SPLASH |
splash10-0ufr-9800000000-6f13641446a8ab292ff3 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001091 |
