| SpectraBase Spectrum ID |
AnL2p3Y7V9D |
| Name |
4,5-Diacetoxy-2,7-dibromo-3,6-dimethyl-1H-indenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.905149481 u |
| Formula |
C15H12Br2O5 |
| InChI |
InChI=1S/C15H12Br2O5/c1-5-9-10(13(20)12(5)17)11(16)6(2)14(21-7(3)18)15(9)22-8(4)19/h1-4H3 |
| InChIKey |
NLJYUKCZRKGODG-UHFFFAOYSA-N |
| Molecular Weight |
432.064 g/mol |
| SMILES |
C12=C(C(C)=C(C2=O)Br)C(OC(=O)C)=C(C(=C1Br)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882408 |
