| SpectraBase Spectrum ID |
FKaOFb137pr |
| Name |
(3ar*,4S*,6as*)-4-[(E)-1-Octen-3-ynyl]perhydro-furo[3,4-B]furan-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-2-3-4-5-6-7-8-11-10-9-12(15)18-13(10)14(16)17-11/h7-8,10-11,13H,2-4,9H2,1H3/b8-7+/t10-,11+,13+/m1/s1 |
| InChIKey |
MQVQCFNYXWXSAR-ZCAAEOPWSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C1([C@@]2([C@@](CC(O2)=O)([H])[C@@](O1)(\C=C\C#CCCCC)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975466 |
![(3ar*,4S*,6as*)-4-[(E)-1-Octen-3-ynyl]perhydro-furo[3,4-B]furan-2,6-dione](/api/spectrum/FKaOFb137pr/structure.png?h=300&w=458 "(3ar*,4S*,6as*)-4-[(E)-1-Octen-3-ynyl]perhydro-furo[3,4-B]furan-2,6-dione")
