| SpectraBase Spectrum ID |
8hQ6A0XTPLa |
| Name |
(S)-3-ethyl-4-(4-methoxybenzyl)hept-6-en-3-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.193280075 u |
| Formula |
C17H26O2 |
| InChI |
InChI=1S/C17H26O2/c1-5-8-15(17(18,6-2)7-3)13-14-9-11-16(19-4)12-10-14/h5,9-12,15,18H,1,6-8,13H2,2-4H3/t15-/m0/s1 |
| InChIKey |
WNRROSKVYLDIEW-HNNXBMFYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
262.393 g/mol |
| Optical Rotation |
[a]D20 = -43.7 (c = 0.7, CHCl3) |
| Quality |
64 |
| Reported Formula |
C17H26O2 |
| SMILES |
OC([C@](CC1=CC=C(OC)C=C1)(CC=C)[H])(CC)CC |
| SPLASH |
splash10-0fki-8950000000-7ea82b1de0f468d51f25 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-62-SM78-(S)-4u (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908248 |
