| SpectraBase Spectrum ID |
2t5PTOolq0n |
| Name |
ethyl (Z,4S,6S,8S)-2-iodo-4,6,8-trimethyl-undec-2-enoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.121225172 u |
| Formula |
C16H29IO2 |
| InChI |
InChI=1S/C16H29IO2/c1-6-8-12(3)9-13(4)10-14(5)11-15(17)16(18)19-7-2/h11-14H,6-10H2,1-5H3/b15-11-/t12-,13-,14-/m0/s1 |
| InChIKey |
QDURGNTVKAOGHP-YQVUFMLFSA-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 |
380.310 g/mol |
| Optical Rotation |
[a]D20 = 5.3 (c = 0.64, CHCl3) |
| Quality |
175 |
| Reported Formula |
C16H29O2I |
| SMILES |
[C@](C[C@@](C[C@](C)(\C=C\(C(OCC)=O)I)[H])(C)[H])(CCC)(C)[H] |
| SPLASH |
splash10-002b-4960000000-e2be0e198394de6caf35 |
| Sample Comments |
dr > 99:1, E/Z =1:99, >99% ee |
| Source of Spectrum |
ACI-57-SM98-(Z)-4S,6S,8S-34 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890719 |
