![4,11-Epoxycycloocta[4',5']benzo[1',2':3,4]cyclobuta[1,2-c]furan-1,3-dione, 3a,3b,4,5,6,7,8,9,10,11,11a,11b-dodecahydro-, (3a.alpha.,3b.beta.,4.alpha.,11.alpha.,11a.beta.,11b.alpha.)-](/api/spectrum/EYwIAXDhYSY/structure.png?h=300&w=458 "4,11-Epoxycycloocta[4',5']benzo[1',2':3,4]cyclobuta[1,2-c]furan-1,3-dione, 3a,3b,4,5,6,7,8,9,10,11,11a,11b-dodecahydro-, (3a.alpha.,3b.beta.,4.alpha.,11.alpha.,11a.beta.,11b.alpha.)-")
| SpectraBase Compound ID | 14LlR9jaLI1 |
|---|---|
| InChI | InChI=1S/C16H18O4/c17-15-11-9-10(12(11)16(18)20-15)14-8-6-4-2-1-3-5-7(8)13(9)19-14/h9-14H,1-6H2/t9-,10+,11+,12-,13-,14+ |
| InChIKey | GRUSPMPNICCCFL-XUYNTYLMSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EYwIAXDhYSY |
|---|---|
| Name | 4,11-Epoxycycloocta[4',5']benzo[1',2':3,4]cyclobuta[1,2-C]furan-1,3-dione, 3A,3B,4,5,6,7,8,9,10,11,11A,11B-dodecahydro-, (3A.alpha.,3B.beta.,4.alpha.,11.alpha.,11A.beta.,11B.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c17-15-11-9-10(12(11)16(18)20-15)14-8-6-4-2-1-3-5-7(8)13(9)19-14/h9-14H,1-6H2/t9-,10+,11+,12-,13-,14+ |
| InChIKey | GRUSPMPNICCCFL-XUYNTYLMSA-N |
| SMILES | [C@@]12([C@@]3([C@]4(C(OC([C@]4([C@]3([H])[C@@](O1)([H])C1=C2CCCCCC1)[H])=O)=O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879851 |