| SpectraBase Compound ID | 7ButQd365QI |
|---|---|
| InChI | InChI=1S/C23H30O2/c1-24-23(25-2)19-5-6-20(23)22-18-10-17(21(19)22)15-8-13-11-3-4-12(7-11)14(13)9-16(15)18/h3-6,11-22H,7-10H2,1-2H3/t11-,12+,13-,14+,15-,16-,17-,18+,19-,20+,21+,22-/m0/s1 |
| InChIKey | HCIRITFBBKWVDN-VMOGGWJUSA-N |
| Mol Weight | 338.49 g/mol |
| Molecular Formula | C23H30O2 |
| Exact Mass | 338.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1VQHZ39R85T |
|---|---|
| Name | 1,4-Dimethoxymethylene-5,12:7,10-bimethano-octahydronaphthacene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.224580204 u |
| Formula | C23H30O2 |
| InChI | InChI=1S/C23H30O2/c1-24-23(25-2)19-5-6-20(23)22-18-10-17(21(19)22)15-8-13-11-3-4-12(7-11)14(13)9-16(15)18/h3-6,11-22H,7-10H2,1-2H3/t11-,12+,13-,14+,15-,16-,17-,18+,19-,20+,21+,22-/m0/s1 |
| InChIKey | HCIRITFBBKWVDN-VMOGGWJUSA-N |
| Molecular Weight | 338.491 g/mol |
| SMILES | C1([C@@]2([C@]3([C@@]4([C@]5(C[C@]6([C@]7(C=C[C@@]([C@]6(C[C@@]5([C@]([C@]3([C@]1(C=C2)[H])[H])(C4)[H])[H])[H])(C7)[H])[H])[H])[H])[H])[H])[H])(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902581 |