SpectraBase Spectrum ID |
4qBpn748cFW |
Name |
exo-7-Fluro-endo-7-phenylbicyclo[3.2.0]hept-2-en-6-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
202.079393136 u |
Formula |
C13H11FO |
InChI |
InChI=1S/C13H11FO/c14-13(9-5-2-1-3-6-9)11-8-4-7-10(11)12(13)15/h1-6,8,10-11H,7H2 |
InChIKey |
MNBTYBYNEMYWMF-UHFFFAOYSA-N |
Molecular Weight |
202.228 g/mol |
SMILES |
C1(C(=O)C2C1C=CC2)(C1=CC=CC=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933305 |