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(3aS,6aR)-1-(4-fluorophenyl)-3a-phenylhexahydro-1H-cyclopenta[c]furan
SpectraBase Compound ID JdWRRM5ENIY
InChI InChI=1S/C19H19FO/c20-16-10-8-14(9-11-16)18-17-7-4-12-19(17,13-21-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-18H,4,7,12-13H2/t17-,18?,19+/m0/s1
InChIKey LFYRRJLAFPLBFA-LJJQOFDWSA-N
Mol Weight 282.36 g/mol
Molecular Formula C19H19FO
Exact Mass 282.141993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DI0PoQ6ngyG
Name (3as,6ar)-1-(4-Fluorophenyl)-3A-phenylhexahydro-1H-cyclopenta[C]furan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.141993394 u
Formula C19H19FO
InChI InChI=1S/C19H19FO/c20-16-10-8-14(9-11-16)18-17-7-4-12-19(17,13-21-18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-18H,4,7,12-13H2/t17-,18?,19+/m0/s1
InChIKey LFYRRJLAFPLBFA-LJJQOFDWSA-N
Molecular Weight 282.358 g/mol
SMILES C1OC([C@]2([C@@]1(CCC2)C=1C=CC=CC1)[H])C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851606