| SpectraBase Spectrum ID |
D4OMD1ZLZ41 |
| Name |
[(2S)-2-methyloctyl] 4-methoxybenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-4-5-6-7-8-14(2)13-20-17(18)15-9-11-16(19-3)12-10-15/h9-12,14H,4-8,13H2,1-3H3/t14-/m0/s1 |
| InChIKey |
DQVLRANPIWCPMB-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 |
278.392 g/mol |
| Optical Rotation |
[a]D23 = -6.0 (c = 0.24, CHCl3) |
| Quality |
96 |
| Reported Formula |
C17H26O3 |
| SMILES |
C(CCCC[C@@](COC(C1=CC=C(C=C1)OC)=O)(C)[H])C |
| SPLASH |
splash10-0udr-0900000000-a4dfd3c1d7831b975547 |
| Sample Comments |
90.2% ee |
| Source of Spectrum |
ACI-57-SM40-C4 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890734 |
![[(2S)-2-methyloctyl] 4-methoxybenzoate](/api/spectrum/D4OMD1ZLZ41/structure.png?h=300&w=458 "[(2S)-2-methyloctyl] 4-methoxybenzoate")
