| SpectraBase Spectrum ID |
EnQiQWwQE2y |
| Name |
5A,6,7,8,8A,14A,15,16,17,17A-Decahydro-7,16-epoxyheptacene-5,9,14,18-tetrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.146723803 u |
| Formula |
C30H22O5 |
| InChI |
InChI=1S/C30H22O5/c31-25-13-5-1-2-6-14(13)26(32)18-10-22-21(9-17(18)25)29-23-11-19-20(12-24(23)30(22)35-29)28(34)16-8-4-3-7-15(16)27(19)33/h1-8,17-20,29-30H,9-12H2 |
| InChIKey |
GNBFUAVUDWBZFU-UHFFFAOYSA-N |
| Molecular Weight |
462.501 g/mol |
| SMILES |
C12=C(C3OC2C2=C3CC3C(C2)C(C=2C(=CC=CC2)C3=O)=O)CC2C(C1)C(C1=C(C=CC=C1)C2=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912224 |
