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2F-mda but

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

2F-mda but
SpectraBase Compound ID 9nJ9T3ynBzQ
InChI InChI=1S/C14H18FNO3/c1-3-4-12(17)16-9(2)7-10-5-6-11-14(13(10)15)19-8-18-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKey DKZCXGHCMRQNMJ-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C14H18FNO3
Exact Mass 267.127072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KZMXtHhJKZM
Name 2F-mda but
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.127071604 u
Formula C14H18FNO3
InChI InChI=1S/C14H18FNO3/c1-3-4-12(17)16-9(2)7-10-5-6-11-14(13(10)15)19-8-18-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKey DKZCXGHCMRQNMJ-UHFFFAOYSA-N
Molecular Weight 267.300 g/mol
SMILES C12=C(C(CC(NC(CCC)=O)C)=CC=C2OCO1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958558