| SpectraBase Spectrum ID |
AAVYybzy422 |
| Name |
4-(but-3-en-2-yl)aniline |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
147.104799423 u |
| Formula |
C10H13N |
| GC Column |
Macherey-Nagel Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C10H13N/c1-3-8(2)9-4-6-10(11)7-5-9/h3-8H,1,11H2,2H3 |
| InChIKey |
ZDNZWUKTKSHXET-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601283 |
| Optical Rotation |
[a]D20 = -9.8 (c = 0.5 g/100 ml, CHCl3) |
| Quality |
273 |
| SMILES |
NC1=CC=C(C(C)C=C)C=C1 |
| SPLASH |
splash10-001i-1900000000-884799c9c40d9d21c087 |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-22-SM40-40-1 (DOI: 10.1002/chem.201601283) |
| Thin-Layer Chromatography |
0.1 (CyHex/EtOAc, 10:1) |
| Wiley ID |
1903365 |
