| SpectraBase Spectrum ID |
9ZkvxjyNo5p |
| Name |
ethyl (E,4S)-7-(4-methoxyphenyl)-4-methyl-hept-2-enoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.172544630 u |
| Formula |
C17H24O3 |
| InChI |
InChI=1S/C17H24O3/c1-4-20-17(18)13-8-14(2)6-5-7-15-9-11-16(19-3)12-10-15/h8-14H,4-7H2,1-3H3/b13-8+/t14-/m0/s1 |
| InChIKey |
BVKYJRXJIIPEBS-CZAWJFPGSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Optical Rotation |
[a]D23 = 70.9 (c = 0.77, CDCl3) |
| Quality |
136 |
| Reported Formula |
C17H24O3 |
| SMILES |
C([C@](C)(\C=C\C(OCC)=O)[H])CCC1=CC=C(C=C1)OC |
| SPLASH |
splash10-00di-0900000000-be4f813e5bbd49a1cce5 |
| Sample Comments |
92.2% ee |
| Source of Spectrum |
ACI-57-SM53-S-12 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890748 |
