SpectraBase Spectrum ID |
46GB6HKeZsx |
Name |
3,6-bis(Methoxycarbonyl)-fluorenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.068473481 u |
Formula |
C17H12O5 |
InChI |
InChI=1S/C17H12O5/c1-21-16(19)9-3-5-11-13(7-9)14-8-10(17(20)22-2)4-6-12(14)15(11)18/h3-8H,1-2H3 |
InChIKey |
MFCVYHIKAAHKAO-UHFFFAOYSA-N |
SMILES |
C=12C3=C(C=CC(=C3)C(=O)OC)C(C1C=CC(=C2)C(=O)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939899 |