| SpectraBase Spectrum ID |
Ll3C0JNkJTX |
| Name |
(+)-(S,E)-3-Phenylhex-4-enyl Methanesulfonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.097665611 u |
| Formula |
C13H18O3S |
| InChI |
InChI=1S/C13H18O3S/c1-3-7-12(10-11-16-17(2,14)15)13-8-5-4-6-9-13/h3-9,12H,10-11H2,1-2H3/b7-3+/t12-/m1/s1 |
| InChIKey |
QIWPGZIOXGJJPB-QDBLGGKGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Molecular Weight |
254.344 g/mol |
| Optical Rotation |
[a]D20 = +25.1 (c = 1.0, CH2Cl2) |
| Quality |
146 |
| Reported Formula |
C13H18O3S |
| SMILES |
[C@@](CCOS(C)(=O)=O)(\C=C\C)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-004l-3900000000-a485ebe68bfa616dc761 |
| Source of Spectrum |
JOC-78-624-20d (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911683 |
