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25B-nbf

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

25B-nbf
SpectraBase Compound ID 6s9H5pwj7ZA
InChI InChI=1S/C17H19BrFNO2/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-15(13)19/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKey ATMBBMXJNIJRST-UHFFFAOYSA-N
Mol Weight 368.25 g/mol
Molecular Formula C17H19BrFNO2
Exact Mass 367.05832 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bdu9CuYd5QZ
Name 25B-nbf
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.058320017 u
Formula C17H19BrFNO2
InChI InChI=1S/C17H19BrFNO2/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-15(13)19/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKey ATMBBMXJNIJRST-UHFFFAOYSA-N
Molecular Weight 368.246 g/mol
SMILES C(CNCC1=C(F)C=CC=C1)C1=C(OC)C=C(C(=C1)OC)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900113