| SpectraBase Spectrum ID |
Cj5tQULkNMs |
| Name |
[(1S)-1-ethylhexyl] 4-methoxybenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-4-6-7-8-14(5-2)19-16(17)13-9-11-15(18-3)12-10-13/h9-12,14H,4-8H2,1-3H3/t14-/m0/s1 |
| InChIKey |
CSCTVGHDLGFQFK-AWEZNQCLSA-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 |
264.365 g/mol |
| Optical Rotation |
[a]D23 = 13.3 (c = 0.30, CHCl3) |
| Quality |
113 |
| Reported Formula |
C16H24O3 |
| SMILES |
C1(=CC=C(C=C1)OC)C(O[C@](CCCCC)(CC)[H])=O |
| SPLASH |
splash10-0udr-0900000000-29e56a77f63b18f970b9 |
| Sample Comments |
95.4% ee |
| Source of Spectrum |
ACI-57-SM6-S2 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890754 |
![[(1S)-1-ethylhexyl] 4-methoxybenzoate](/api/spectrum/Cj5tQULkNMs/structure.png?h=300&w=458 "[(1S)-1-ethylhexyl] 4-methoxybenzoate")
