| SpectraBase Spectrum ID |
5dV3OIC6DEB |
| Name |
2.beta.-Pentanolyl-4.beta.-butyl-9-anti-iodo-5-oxatricyclo[4.2.1.0(3,7)]nonane |
| Alternate Name(s) |
(1S)-1-[(5R,9S)-5-butyl-2-iodo-4-oxatricyclo[4.2.1.0(3,7)]non-9-yl]-1-pentanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H29IO2 |
| InChI |
InChI=1S/C17H29IO2/c1-3-5-7-12(19)14-10-9-11-15(14)13(8-6-4-2)20-17(11)16(10)18/h10-17,19H,3-9H2,1-2H3/t10?,11?,12?,13-,14+,15?,16?,17?/m1/s1 |
| InChIKey |
NXVRVNOLSKKOLM-YRWLWAQDSA-N |
| Molecular Weight |
392.321 g/mol |
| SMILES |
OC([C@@]1(C2C(C3C(C1[C@](O3)(CCCC)[H])C2)I)[H])CCCC |
| SPLASH |
splash10-014i-0091000000-7919b42d44485b70c9ec |
| Source of Spectrum |
QA-44-611-5 |
| Wiley ID |
862697 |
![2.beta.-Pentanolyl-4.beta.-butyl-9-anti-iodo-5-oxatricyclo[4.2.1.0(3,7)]nonane](/api/spectrum/5dV3OIC6DEB/structure.png?h=300&w=458 "2.beta.-Pentanolyl-4.beta.-butyl-9-anti-iodo-5-oxatricyclo[4.2.1.0(3,7)]nonane")
