| SpectraBase Spectrum ID |
BOPM1txcgbf |
| Name |
Dicyclohexyl(5-iodo-2-methoxy-4-methylphenyl)methanol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31IO2 |
| InChI |
InChI=1S/C21H31IO2/c1-15-13-20(24-2)18(14-19(15)22)21(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h13-14,16-17,23H,3-12H2,1-2H3 |
| InChIKey |
TVWGZEWNKBVCTL-UHFFFAOYSA-N |
| Instrument Name |
Finnigan Mat 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202012496 |
| Molecular Weight |
442.381 g/mol |
| Reported Formula |
C21H31IO2 |
| SMILES |
OC(c1c(cc(c(c1)I)C)OC)(C1CCCCC1)C1CCCCC1 |
| SPLASH |
splash10-0bt9-0029000000-13f72b8545a20fcbfffb |
| Source of Spectrum |
ACI-60-SM50-C |
| Thin-Layer Chromatography |
Rf = 0.22 (isohexane/ethyl acetate, 95:5) |
| Wiley ID |
1880474 |
