| SpectraBase Spectrum ID |
4fOE9LF4Jvo |
| Name |
methyl (R)-4-(but-3-en-2-yl)benzoate |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.099379689 u |
| Formula |
C12H14O2 |
| GC Column |
Macherey-Nagel Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H14O2/c1-4-9(2)10-5-7-11(8-6-10)12(13)14-3/h4-9H,1H2,2-3H3/t9-/m1/s1 |
| InChIKey |
IUNQJCLYXKPCLS-SECBINFHSA-N |
| Instrument Name |
Agilent 5973 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601283 |
| Molecular Weight |
190.242 g/mol |
| Optical Rotation |
[a]D20 = -12.7 (c = 1.0 g/100 ml, CHCl3) |
| Quality |
254 |
| SMILES |
[C@](C)(C=C)(C1=CC=C(C=C1)C(=O)OC)[H] |
| SPLASH |
splash10-001l-2900000000-6a5a0d8680acc68e1ac9 |
| Sample Comments |
95% ee |
| Source of Spectrum |
QE-22-SM35-35-1 (DOI: 10.1002/chem.201601283) |
| Thin-Layer Chromatography |
0.8 (CyHex/EtOAc, 10:1) |
| Wiley ID |
1903360 |
