| SpectraBase Spectrum ID |
AK9spNxd7Wj |
| Name |
5,11-Epoxy-1,4-methano-1H-dibenzo[A,D]cyclohepten-10(4H)-one, 4A,5,11,11A-tetrahydro-, (1.alpha.,4.alpha.,4A.beta.,5.alpha.,11.alp ha.,11A.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.099379689 u |
| Formula |
C16H14O2 |
| InChI |
InChI=1S/C16H14O2/c17-14-10-3-1-2-4-11(10)15-12-8-5-6-9(7-8)13(12)16(14)18-15/h1-6,8-9,12-13,15-16H,7H2/t8-,9+,12+,13-,15-,16-/m1/s1 |
| InChIKey |
RVEBTRUAGYQDRN-WXQHNKTJSA-N |
| Molecular Weight |
238.286 g/mol |
| SMILES |
[C@]12([C@]3([C@@]([C@@]4([H])C[C@@]3(C=C4)[H])([H])[C@@](O2)([H])C2=C(C1=O)C=CC=C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952484 |
![5,11-Epoxy-1,4-methano-1H-dibenzo[a,d]cyclohepten-10(4H)-one, 4a,5,11,11a-tetrahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,11.alp ha.,11a.beta.)-(.+-.)-](/api/spectrum/AK9spNxd7Wj/structure.png?h=300&w=458 "5,11-Epoxy-1,4-methano-1H-dibenzo[a,d]cyclohepten-10(4H)-one, 4a,5,11,11a-tetrahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,11.alp ha.,11a.beta.)-(.+-.)-")
