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2F-mda 2bu

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

2F-mda 2bu
SpectraBase Compound ID 17AkwrAXpUn
InChI InChI=1S/C18H28FNO2/c1-4-6-10-20(11-7-5-2)14(3)12-15-8-9-16-18(17(15)19)22-13-21-16/h8-9,14H,4-7,10-13H2,1-3H3
InChIKey PIXNJGJBLXASFO-UHFFFAOYSA-N
Mol Weight 309.43 g/mol
Molecular Formula C18H28FNO2
Exact Mass 309.210407 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C02zHbVgErP
Name 2F-mda 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.210407307 u
Formula C18H28FNO2
InChI InChI=1S/C18H28FNO2/c1-4-6-10-20(11-7-5-2)14(3)12-15-8-9-16-18(17(15)19)22-13-21-16/h8-9,14H,4-7,10-13H2,1-3H3
InChIKey PIXNJGJBLXASFO-UHFFFAOYSA-N
Molecular Weight 309.425 g/mol
SMILES C12=C(C(CC(N(CCCC)CCCC)C)=CC=C2OCO1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8539