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exo-7-Fluro-endo-7-phenylbicyclo[3.2.0]hept-2-en-6-one
SpectraBase Compound ID K3TED788zhd
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
Mol Weight 202.23 g/mol
Molecular Formula C13H11FO
Exact Mass 202.079393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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