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acetic acid, (4-butylphenoxy)-, 2-[(E)-[2-[(3-bromophenyl)methoxy]-1-naphthalenyl]methylidene]hydrazide
SpectraBase Compound ID Cfu2mKvomix
InChI InChI=1S/C30H29BrN2O3/c1-2-3-7-22-12-15-26(16-13-22)35-21-30(34)33-32-19-28-27-11-5-4-9-24(27)14-17-29(28)36-20-23-8-6-10-25(31)18-23/h4-6,8-19H,2-3,7,20-21H2,1H3,(H,33,34)/b32-19+
InChIKey OOQXBBREJNYRNL-BIZUNTBRSA-N
Mol Weight 545.48 g/mol
Molecular Formula C30H29BrN2O3
Exact Mass 544.136156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bmjf7KNwKM1
Name Acetic acid, (4-butylphenoxy)-, 2-[(E)-[2-[(3-bromophenyl)methoxy]-1-naphthalenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.136155799 u
Formula C30H29BrN2O3
InChI InChI=1S/C30H29BrN2O3/c1-2-3-7-22-12-15-26(16-13-22)35-21-30(34)33-32-19-28-27-11-5-4-9-24(27)14-17-29(28)36-20-23-8-6-10-25(31)18-23/h4-6,8-19H,2-3,7,20-21H2,1H3,(H,33,34)/b32-19+
InChIKey OOQXBBREJNYRNL-BIZUNTBRSA-N
Molecular Weight 545.477 g/mol
SMILES N(C(=O)COC1=CC=C(C=C1)CCCC)\N=C\C1=C2C(C=CC=C2)=CC=C1OCC=1C=C(Br)C=CC1