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acetic acid, [4-(octyloxy)phenoxy]-, 2-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazide
SpectraBase Compound ID 2L4Vvj8ptXU
InChI InChI=1S/C27H39N3O3/c1-4-7-8-9-10-11-20-32-25-16-18-26(19-17-25)33-22-27(31)29-28-21-23-12-14-24(15-13-23)30(5-2)6-3/h12-19,21H,4-11,20,22H2,1-3H3,(H,29,31)/b28-21+
InChIKey WYCMDNCVSHMMKT-SGWCAAJKSA-N
Mol Weight 453.6 g/mol
Molecular Formula C27H39N3O3
Exact Mass 453.299142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1apTxjwZG2F
Name Acetic acid, [4-(octyloxy)phenoxy]-, 2-[(E)-[4-(diethylamino)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 453.299142125 u
Formula C27H39N3O3
InChI InChI=1S/C27H39N3O3/c1-4-7-8-9-10-11-20-32-25-16-18-26(19-17-25)33-22-27(31)29-28-21-23-12-14-24(15-13-23)30(5-2)6-3/h12-19,21H,4-11,20,22H2,1-3H3,(H,29,31)/b28-21+
InChIKey WYCMDNCVSHMMKT-SGWCAAJKSA-N
Molecular Weight 453.627 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)N(CC)CC)C(=O)COC1=CC=C(C=C1)OCCCCCCCC