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2-Butoxy-7-decyloxy-fluoren-9-one
SpectraBase Compound ID IjaA1aB86TN
InChI InChI=1S/C27H36O3/c1-3-5-7-8-9-10-11-12-18-30-22-14-16-24-23-15-13-21(29-17-6-4-2)19-25(23)27(28)26(24)20-22/h13-16,19-20H,3-12,17-18H2,1-2H3
InChIKey KVMXPFLMORMVCC-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LSeI3QktJg6
Name 2-Butoxy-7-decyloxy-fluoren-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.266445016 u
Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-3-5-7-8-9-10-11-12-18-30-22-14-16-24-23-15-13-21(29-17-6-4-2)19-25(23)27(28)26(24)20-22/h13-16,19-20H,3-12,17-18H2,1-2H3
InChIKey KVMXPFLMORMVCC-UHFFFAOYSA-N
Molecular Weight 408.582 g/mol
SMILES C1=2C(C3=CC(OCCCCCCCCCC)=CC=C3C2C=CC(=C1)OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888504