| SpectraBase Spectrum ID |
HjoSxQc5RNd |
| Name |
4,11-Dioxa-9-iodo-5-octyl-3-oxotetracycloundecane Cage Compound |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25IO3 |
| InChI |
InChI=1S/C17H25IO3/c1-2-3-4-5-6-7-8-17-13-11-9-10(12(13)16(19)21-17)14(18)15(11)20-17/h10-15H,2-9H2,1H3/t10-,11+,12?,13?,14-,15-,17?/m1/s1 |
| InChIKey |
URPUNLVDKBYIDI-UHFFFAOYSA-N |
| Molecular Weight |
404.288 g/mol |
| SMILES |
C12(C3C([C@@]4([C@]([C@](O2)([C@]3(C4)[H])[H])(I)[H])[H])C(O1)=O)CCCCCCCC |
| SPLASH |
splash10-001i-0090000000-2c2f89c0b4a54e8f4408 |
| Source of Spectrum |
J-62-6371-21 |
| Synonyms |
9-iodo-6-octyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undecan-4-one |
| Wiley ID |
1371069 |
