| SpectraBase Spectrum ID |
34xYC2X7sZQ |
| Name |
Trans-12A,12B-dihydro-3A(12C),9A(9B)-dihomoperylene-3,10-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.115029753 u |
| Formula |
C22H16O2 |
| InChI |
InChI=1S/C22H16O2/c23-21-9-7-17-18-8-10-22(24)14-4-2-6-16(20(18)12-14)15-5-1-3-13(21)11-19(15)17/h1-14,17-18H/t13?,14?,17-,18-/m0/s1 |
| InChIKey |
MOGQOCDIKLMMEA-GNNGFNCTSA-N |
| Molecular Weight |
312.368 g/mol |
| SMILES |
C=12C=3C4=CC=CC5C=C4[C@]([C@@]2(C=CC(C(C1)C=CC3)=O)[H])(C=CC5=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839536 |
