SpectraBase Spectrum ID |
Ky1Kh9L0EQG |
Name |
Endo-1,6A-diacetoxy-1,1A-dihydrocycloprop[A]inden-6(6ah)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
260.068473481 u |
Formula |
C14H12O5 |
InChI |
InChI=1S/C14H12O5/c1-7(15)18-13-11-9-5-3-4-6-10(9)12(17)14(11,13)19-8(2)16/h3-6,11,13H,1-2H3 |
InChIKey |
JMFMLFFYHQADHV-UHFFFAOYSA-N |
Molecular Weight |
260.245 g/mol |
SMILES |
C12(C(C=3C=CC=CC3C2=O)C1OC(=O)C)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946455 |