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1-(3',5'-Dibenzyloxyphenyl)-2-nitrohept-1-ene

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1-(3',5'-Dibenzyloxyphenyl)-2-nitrohept-1-ene
SpectraBase Compound ID 656bnTuQkVM
InChI InChI=1S/C27H29NO4/c1-2-3-6-15-25(28(29)30)16-24-17-26(31-20-22-11-7-4-8-12-22)19-27(18-24)32-21-23-13-9-5-10-14-23/h4-5,7-14,16-19H,2-3,6,15,20-21H2,1H3/b25-16-
InChIKey HTUAJKPEOJOMTQ-XYGWBWBKSA-N
Mol Weight 431.53 g/mol
Molecular Formula C27H29NO4
Exact Mass 431.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82heLA2aWTb
Name 1-(3',5'-Dibenzyloxyphenyl)-2-nitrohept-1-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.209658414 u
Formula C27H29NO4
InChI InChI=1S/C27H29NO4/c1-2-3-6-15-25(28(29)30)16-24-17-26(31-20-22-11-7-4-8-12-22)19-27(18-24)32-21-23-13-9-5-10-14-23/h4-5,7-14,16-19H,2-3,6,15,20-21H2,1H3/b25-16-
InChIKey HTUAJKPEOJOMTQ-XYGWBWBKSA-N
Molecular Weight 431.532 g/mol
SMILES C=1(\C=C\(N(=O)=O)CCCCC)C=C(OCC=2C=CC=CC2)C=C(C1)OCC1=CC=CC=C1