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3-Butyl-2-fluoro-7,8,9,9a-tetrahydro-1-oxaphenalene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Butyl-2-fluoro-7,8,9,9a-tetrahydro-1-oxaphenalene
SpectraBase Compound ID LBiwDQBcwTA
InChI InChI=1S/C16H19FO/c1-2-3-8-13-12-9-4-6-11-7-5-10-14(15(11)12)18-16(13)17/h4,6,9,14H,2-3,5,7-8,10H2,1H3
InChIKey ZWHRTIIAAIVLDH-UHFFFAOYSA-N
Mol Weight 246.33 g/mol
Molecular Formula C16H19FO
Exact Mass 246.141993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L6oM6bEKyrR
Name 3-Butyl-2-fluoro-7,8,9,9A-tetrahydro-1-oxaphenalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.141993394 u
Formula C16H19FO
InChI InChI=1S/C16H19FO/c1-2-3-8-13-12-9-4-6-11-7-5-10-14(15(11)12)18-16(13)17/h4,6,9,14H,2-3,5,7-8,10H2,1H3
InChIKey ZWHRTIIAAIVLDH-UHFFFAOYSA-N
Molecular Weight 246.325 g/mol
SMILES C=1(OC2CCCC3=CC=CC(C1CCCC)=C23)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887697