![3,16-(Epoxyhexanoxy)-5H,14H-dibenzo[b,n][1,5,12,16]tetraoxacyclodoco sin-5,14-dione, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-](/api/spectrum/IafmteREn4V/structure.png?h=300&w=458 "3,16-(Epoxyhexanoxy)-5H,14H-dibenzo[b,n][1,5,12,16]tetraoxacyclodoco sin-5,14-dione, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-")
| SpectraBase Compound ID | CUV29sL9ept |
|---|---|
| InChI | InChI=1S/C32H42O8/c33-31-27-23-25-13-15-29(27)37-19-9-3-4-10-20-38-30-16-14-26(36-18-8-2-1-7-17-35-25)24-28(30)32(34)40-22-12-6-5-11-21-39-31/h13-16,23-24H,1-12,17-22H2 |
| InChIKey | VUXGGEQEHIAVJW-UHFFFAOYSA-N |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C32H42O8 |
| Exact Mass | 554.287968 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IafmteREn4V |
|---|---|
| Name | 3,16-(Epoxyhexanoxy)-5H,14H-dibenzo[B,N][1,5,12,16]tetraoxacyclodoco sin-5,14-dione, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 554.287968304 u |
| Formula | C32H42O8 |
| InChI | InChI=1S/C32H42O8/c33-31-27-23-25-13-15-29(27)37-19-9-3-4-10-20-38-30-16-14-26(36-18-8-2-1-7-17-35-25)24-28(30)32(34)40-22-12-6-5-11-21-39-31/h13-16,23-24H,1-12,17-22H2 |
| InChIKey | VUXGGEQEHIAVJW-UHFFFAOYSA-N |
| Molecular Weight | 554.680 g/mol |
| SMILES | C=12C(OCCCCCCOC(=O)C=3C=4OCCCCCCOC2=CC=C(OCCCCCCOC(C3)=CC4)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902648 |