| SpectraBase Spectrum ID |
5HNgpt1WQTX |
| Name |
[(1R,3R,5R,7R)-1,3,5,7-tetramethyldec-9-enoxy]methylbenzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.260965714 u |
| Formula |
C21H34O |
| InChI |
InChI=1S/C21H34O/c1-6-10-17(2)13-18(3)14-19(4)15-20(5)22-16-21-11-8-7-9-12-21/h6-9,11-12,17-20H,1,10,13-16H2,2-5H3/t17-,18-,19-,20-/m1/s1 |
| InChIKey |
QCWHKCWKOAFXPE-UAFMIMERSA-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]D20 = -12.8 (c = 0.17, CHCl3) |
| Quality |
62 |
| Reported Formula |
C21H34O |
| SMILES |
[C@@](C[C@](C[C@@](C)(OCC1=CC=CC=C1)[H])(C)[H])(C[C@@](CC=C)(C)[H])(C)[H] |
| SPLASH |
splash10-0006-9300000000-9bf6aec5bd6f8f021ab0 |
| Sample Comments |
dr(C(8)) = 97:3, >99% er |
| Source of Spectrum |
ACI-57-SM82-2R,4R,6R,8R-24 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890720 |
![[(1R,3R,5R,7R)-1,3,5,7-tetramethyldec-9-enoxy]methylbenzene](/api/spectrum/5HNgpt1WQTX/structure.png?h=300&w=458 "[(1R,3R,5R,7R)-1,3,5,7-tetramethyldec-9-enoxy]methylbenzene")
