| SpectraBase Spectrum ID |
14iRFiNBulU |
| Name |
(3S,4R)-4-ethyl-6-hydroxyhexan-3-yl benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-3-12(10-11-16)14(4-2)18-15(17)13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3/t12-,14+/m1/s1 |
| InChIKey |
VZZKTCQHAFVVOK-OCCSQVGLSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
250.338 g/mol |
| Optical Rotation |
[a]D20 = +3.9 (c = 0.9, CH2Cl2) |
| Quality |
100 |
| Reported Formula |
C15H22O3 |
| SMILES |
OCC[C@]([C@@](OC(C1=CC=CC=C1)=O)(CC)[H])(CC)[H] |
| SPLASH |
splash10-0a4i-6900000000-759aa46db42af8d7f4f1 |
| Source of Spectrum |
QE-24-SM23-5q (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900269 |
