| SpectraBase Spectrum ID |
4LM3wCmfGUK |
| Name |
1H-Oxireno[4,5]pentaleno[1,6-bc]furan-1-one, octahydro-, (2A.alpha.,4A.alpha.,4B.alpha.,5A.alpha.,5B.alpha.,5C.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c10-9-6-5-3(7-8(6)12-7)1-2-4(5)11-9/h3-8H,1-2H2/t3?,4-,5?,6-,7+,8-/m1/s1 |
| InChIKey |
RSGCZLMPOFSWFC-MZLLHLFJSA-N |
| SMILES |
[C@]12([C@@]3(C(O[C@]4(C3C([C@]1([H])O2)CC4)[H])=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882171 |
![1H-Oxireno[4,5]pentaleno[1,6-bc]furan-1-one, octahydro-, (2a.alpha.,4a.alpha.,4b.alpha.,5a.alpha.,5b.alpha.,5c.alpha.)-(.+-.)-](/api/spectrum/4LM3wCmfGUK/structure.png?h=300&w=458 "1H-Oxireno[4,5]pentaleno[1,6-bc]furan-1-one, octahydro-, (2a.alpha.,4a.alpha.,4b.alpha.,5a.alpha.,5b.alpha.,5c.alpha.)-(.+-.)-")
