| SpectraBase Spectrum ID |
2hoLcTwAjfW |
| Name |
((2S*,5S*,6S*)-6-(cyclohexenylmethoxy)-5-iodo-tetrahydro-2H-pyran-2-yl)methyl 4-chlorobenzoate |
| Appearance |
Colourless, particularly viscous oil |
| Carrier Gas |
Helium (1.4 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.040781949 u |
| Formula |
C20H24ClIO4 |
| GC Column |
Macherey-Nagel Optima delta-3 (20 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C20H24ClIO4/c21-16-8-6-15(7-9-16)19(23)24-13-17-10-11-18(22)20(26-17)25-12-14-4-2-1-3-5-14/h4,6-9,17-18,20H,1-3,5,10-13H2/t17-,18-,20-/m0/s1 |
| InChIKey |
OFYNZIYWHXVARE-BJLQDIEVSA-N |
| Inlet Type |
Split |
| Instrument Name |
Finnigan Trace GC/MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604950 |
| Molecular Weight |
490.765 g/mol |
| Quality |
191 |
| Reported Formula |
C20H24O4(35)ClI |
| SMILES |
C1(Cl)=CC=C(C(=O)OC[C@]2(O[C@@]([C@](CC2)(I)[H])(OCC2=CCCCC2)[H])[H])C=C1 |
| SPLASH |
splash10-000e-9500000000-850f174e73a6e8303f63 |
| Source of Spectrum |
ACI-55-SM19-8e (DOI: 10.1002/anie.201604950) |
| Wiley ID |
1899226 |
