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Fenvalerate pestanal

View entire compound with spectra: 1 NMR, 1 FTIR, and 10 MS (GC)

Fenvalerate pestanal
SpectraBase Compound ID JNX10jqYYh2
InChI InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey NYPJDWWKZLNGGM-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C25H22ClNO3
Exact Mass 419.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LZjYMi4yME
Name Fenvalerate pestanal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.128821269 u
Formula C25H22ClNO3
InChI InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey NYPJDWWKZLNGGM-UHFFFAOYSA-N
Molecular Weight 419.908 g/mol
SMILES C=1C(=CC=C(C1)Cl)C(C(OC(C=1C=C(C=CC1)OC=1C=CC=CC1)C#N)=O)C(C)C