| SpectraBase Spectrum ID |
5EAGaORIMtg |
| Name |
trans-5-Iodo-8-oxo-5,6,7,8,9,10-hexahydrobenzo[8]annulene-6-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12INO |
| InChI |
InChI=1S/C13H12INO/c14-13-10(8-15)7-11(16)6-5-9-3-1-2-4-12(9)13/h1-4,10,13H,5-7H2/t10-,13-/m0/s1 |
| InChIKey |
BUBJVKOIIHJKNO-GWCFXTLKSA-N |
| Molecular Weight |
325.149 g/mol |
| SMILES |
[C@]1([C@@](c2c(cccc2)CCC(C1)=O)(I)[H])(C#N)[H] |
| SPLASH |
splash10-0002-0900000000-8655618849a89526823a |
| Source of Spectrum |
KC-0-58-35 |
| Synonyms |
(5R,6R)-5-iodo-8-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cyclooctene-6-carbonitrile
(5S,6S)-5-Iodo-8-oxo-5,6,7,8,9,10-hexahydro-benzocyclooctene-6-carbonitrile |
| Wiley ID |
782924 |
![trans-5-Iodo-8-oxo-5,6,7,8,9,10-hexahydrobenzo[8]annulene-6-carbonitrile](/api/spectrum/5EAGaORIMtg/structure.png?h=300&w=458 "trans-5-Iodo-8-oxo-5,6,7,8,9,10-hexahydrobenzo[8]annulene-6-carbonitrile")
