![6,8-Methano-3H-naphth[1,8a-b]oxirene, bimol. deriv.](/api/spectrum/DHJ1GUxKyO0/structure.png?h=300&w=458 "6,8-Methano-3H-naphth[1,8a-b]oxirene, bimol. deriv.")
| SpectraBase Compound ID | K4w4UkNHd1l |
|---|---|
| InChI | InChI=1S/C26H36O4/c1-22(2)14-8-15-9-16(19(27)20-25(15,29-20)17(22)10-14)24(28)6-5-12-7-13-11-18(23(13,3)4)26(12)21(24)30-26/h12-18,20-21,28H,5-11H2,1-4H3/t12-,13?,14+,15+,16+,17-,18?,20+,21+,24+,25+,26+/m0/s1 |
| InChIKey | MYHVVKNZYSPXPC-BACZHAQCSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C26H36O4 |
| Exact Mass | 412.26136 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DHJ1GUxKyO0 |
|---|---|
| Name | 6,8-Methano-3H-naphth[1,8A-B]oxirene, bimol. deriv. |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.261359635 u |
| Formula | C26H36O4 |
| InChI | InChI=1S/C26H36O4/c1-22(2)14-8-15-9-16(19(27)20-25(15,29-20)17(22)10-14)24(28)6-5-12-7-13-11-18(23(13,3)4)26(12)21(24)30-26/h12-18,20-21,28H,5-11H2,1-4H3/t12-,13?,14+,15+,16+,17-,18?,20+,21+,24+,25+,26+/m0/s1 |
| InChIKey | MYHVVKNZYSPXPC-BACZHAQCSA-N |
| Molecular Weight | 412.570 g/mol |
| SMILES | [C@]123[C@@](C(=O)[C@]([C@]4([C@@]5([C@@]6(C7C(C)(C)C(C[C@@]6(CC4)[H])C7)O5)[H])O)(C[C@]3(C[C@@]3(C[C@]1(C3(C)C)[H])[H])[H])[H])(O2)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925382 |