| SpectraBase Spectrum ID |
2jvsh6pXB6N |
| Name |
o-Quinonedinien |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.073558862 u |
| Formula |
C14H12O4 |
| InChI |
InChI=1S/C14H12O4/c1-13-6-5-9(15)12(18)14(13,2)8-4-3-7(13)10(16)11(8)17/h3-8H,1-2H3/t7-,8+,13?,14?/m0/s1 |
| InChIKey |
ZREGUFRHZMVZJS-AJHHRKHJSA-N |
| Molecular Weight |
244.246 g/mol |
| SMILES |
C1=C[C@@]2(C3(C([C@]1(C(=O)C2=O)[H])(C(C(C=C3)=O)=O)C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971645 |
