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dfe 2pe

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

dfe 2pe
SpectraBase Compound ID FdPtGNfL0hm
InChI InChI=1S/C22H37F2NO3/c1-5-7-9-12-25(13-10-8-6-2)14-11-18-15-19(26-3)22(20(16-18)27-4)28-17-21(23)24/h15-16,21H,5-14,17H2,1-4H3
InChIKey STQPPFDWJGAUCD-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C22H37F2NO3
Exact Mass 401.27415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lunl5jSY2He
Name dfe 2pe
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.274150378 u
Formula C22H37F2NO3
InChI InChI=1S/C22H37F2NO3/c1-5-7-9-12-25(13-10-8-6-2)14-11-18-15-19(26-3)22(20(16-18)27-4)28-17-21(23)24/h15-16,21H,5-14,17H2,1-4H3
InChIKey STQPPFDWJGAUCD-UHFFFAOYSA-N
Molecular Weight 401.539 g/mol
SMILES C1(=C(C=C(C=C1OC)CCN(CCCCC)CCCCC)OC)OCC(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874875