| SpectraBase Spectrum ID |
F1ar145Uw4o |
| Name |
[(1S)-1,5-dimethylhex-4-enyl] benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-12(2)8-7-9-13(3)17-15(16)14-10-5-4-6-11-14/h4-6,8,10-11,13H,7,9H2,1-3H3/t13-/m0/s1 |
| InChIKey |
TWUVEVGSOSSNEO-ZDUSSCGKSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Molecular Weight |
232.323 g/mol |
| Optical Rotation |
[a]D23 = 44.4 (c = 0.09, CHCl3) |
| Quality |
68 |
| Reported Formula |
C15H20O2 |
| SMILES |
C1(=CC=CC=C1)C(O[C@](CCC=C(C)C)(C)[H])=O |
| SPLASH |
splash10-01ot-9300000000-65c725094ed947f5bd8c |
| Sample Comments |
97.3% ee |
| Source of Spectrum |
ACI-57-SM10-S3 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890755 |
![[(1S)-1,5-dimethylhex-4-enyl] benzoate](/api/spectrum/F1ar145Uw4o/structure.png?h=300&w=458 "[(1S)-1,5-dimethylhex-4-enyl] benzoate")
