| SpectraBase Spectrum ID |
CCAnmsOyMW0 |
| Name |
4,5-trans-1,5-cis-1-Phenyl-5-iodo-4-heptyl-3-oxabicyclo[3.1.0]hexane-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23IO2 |
| InChI |
InChI=1S/C18H23IO2/c1-2-3-4-5-9-12-15-18(19)13-17(18,16(20)21-15)14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3/t15-,17+,18-/m0/s1 |
| InChIKey |
WXTHOVHSGDZMSV-JQHSSLGASA-N |
| Molecular Weight |
398.284 g/mol |
| SMILES |
[C@@]12([C@]([C@](CCCCCCC)(OC2=O)[H])(I)C1)c1ccccc1 |
| SPLASH |
splash10-014i-0900000000-b5ccb198895906d727e0 |
| Source of Spectrum |
F-70-7632-2 |
| Synonyms |
(1R,4S,5R)-4-heptyl-5-iodanyl-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one |
| Wiley ID |
1597487 |
![4,5-trans-1,5-cis-1-Phenyl-5-iodo-4-heptyl-3-oxabicyclo[3.1.0]hexane-2-one](/api/spectrum/CCAnmsOyMW0/structure.png?h=300&w=458 "4,5-trans-1,5-cis-1-Phenyl-5-iodo-4-heptyl-3-oxabicyclo[3.1.0]hexane-2-one")
