| SpectraBase Spectrum ID |
AaySwmGes7F |
| Name |
Methyl (2.alpha.,2B.alpha.,5A.alpha.,5B.alpha.)-2,2A,2B,5,5A,5A-hexahydro-2-oxo-2A-phenylcyclopenta[1.2]cyclobuta[3,4-B] oxete-5B-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.089208927 u |
| Formula |
C16H14O4 |
| InChI |
InChI=1S/C16H14O4/c1-19-14(18)16-12-9-5-8-11(12)15(16,13(17)20-16)10-6-3-2-4-7-10/h2-8,11-12H,9H2,1H3/t11-,12+,15?,16-/m1/s1 |
| InChIKey |
FXMNZUCIOVXJIS-VPACOFPVSA-N |
| SMILES |
C12([C@](C(=O)OC)([C@@]3([C@]2(C=CC3)[H])[H])OC1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931537 |
![Methyl (2.alpha.,2b.alpha.,5a.alpha.,5b.alpha.)-2,2a,2b,5,5a,5a-hexahydro-2-oxo-2a-phenylcyclopenta[1.2]cyclobuta[3,4-b] oxete-5b-carboxylate](/api/spectrum/AaySwmGes7F/structure.png?h=300&w=458 "Methyl (2.alpha.,2b.alpha.,5a.alpha.,5b.alpha.)-2,2a,2b,5,5a,5a-hexahydro-2-oxo-2a-phenylcyclopenta[1.2]cyclobuta[3,4-b] oxete-5b-carboxylate")
