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3C-fp 2bu

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

3C-fp 2bu
SpectraBase Compound ID 3qUNaBnG7ef
InChI InChI=1S/C22H38FNO3/c1-6-8-12-24(13-9-7-2)18(3)15-19-16-20(25-4)22(21(17-19)26-5)27-14-10-11-23/h16-18H,6-15H2,1-5H3
InChIKey VNXCSPVMGGBLIN-UHFFFAOYSA-N
Mol Weight 383.5 g/mol
Molecular Formula C22H38FNO3
Exact Mass 383.283572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2VON2t6XjjH
Name 3C-fp 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.283572248 u
Formula C22H38FNO3
InChI InChI=1S/C22H38FNO3/c1-6-8-12-24(13-9-7-2)18(3)15-19-16-20(25-4)22(21(17-19)26-5)27-14-10-11-23/h16-18H,6-15H2,1-5H3
InChIKey VNXCSPVMGGBLIN-UHFFFAOYSA-N
Molecular Weight 383.548 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(N(CCCC)CCCC)C)OC)OCCCF
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968915