| SpectraBase Spectrum ID |
6A8r0HDMCs9 |
| Name |
(3S,4R)-3,4,7,11-tetramethyltrideca-6,10-dienenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H29N |
| InChI |
InChI=1S/C17H29N/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,16-17H,6-7,9,11-12H2,1-5H3/t16-,17+/m1/s1 |
| InChIKey |
PHTRRRFWLSMFOK-SJORKVTESA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201811330 |
| Molecular Weight |
247.426 g/mol |
| Optical Rotation |
[a]D20 = +10.4 (c = 0.3, CHCl3) |
| SMILES |
CC(CC)=CCCC(C)=CC[C@]([C@@](C)(CC#N)[H])(C)[H] |
| SPLASH |
splash10-0689-9000000000-942e565b47c3f28ea219 |
| Sample Comments |
dr = 97:3, 99% ee |
| Source of Spectrum |
ACI-58-SM51-3S,4R-31 |
| Wiley ID |
1840559 |
