25B-Nbome hfb P1705

SpectraBase Compound ID	LsW09DLwFrP
InChI	InChI=1S/C22H21BrF7NO4/c1-33-16-7-5-4-6-14(16)12-31(19(32)20(24,25)21(26,27)22(28,29)30)9-8-13-10-18(35-3)15(23)11-17(13)34-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey	WOWRMIDEIAAWEQ-UHFFFAOYSA-N Google Search
Mol Weight	576.31 g/mol
Molecular Formula	C22H21BrF7NO4
Exact Mass	575.054218 g/mol

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SpectraBase Spectrum ID	EvsjIEjDyW4
Name	25B-Nbome hfb P1705
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	575.054218297 u
Formula	C22H21BrF7NO4
InChI	InChI=1S/C22H21BrF7NO4/c1-33-16-7-5-4-6-14(16)12-31(19(32)20(24,25)21(26,27)22(28,29)30)9-8-13-10-18(35-3)15(23)11-17(13)34-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey	WOWRMIDEIAAWEQ-UHFFFAOYSA-N
Molecular Weight	576.306 g/mol
SMILES	C=1(C=C(C(=CC1OC)Br)OC)CCN(CC=1C(=CC=CC1)OC)C(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.883937