| SpectraBase Spectrum ID |
sdUKxvuABR |
| Name |
(4S)-3-ethyl-7-(4-methoxyphenyl)-4-methyl-heptan-3-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-5-17(18,6-2)14(3)8-7-9-15-10-12-16(19-4)13-11-15/h10-14,18H,5-9H2,1-4H3/t14-/m0/s1 |
| InChIKey |
WBDKVGVPXPTWLZ-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 |
264.409 g/mol |
| Optical Rotation |
[a]D23 = -22.7 (c = 0.90, CDCl3) |
| Quality |
188 |
| Reported Formula |
C17H28O2 |
| SMILES |
OC([C@](CCCC1=CC=C(C=C1)OC)(C)[H])(CC)CC |
| SPLASH |
splash10-00e9-1910000000-9976404c85a9c46c5e70 |
| Sample Comments |
93.2% ee |
| Source of Spectrum |
ACI-57-SM50-S-10c (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890747 |
