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trans-4-(hexadecyloxy-3-nitrocinnamic acid

View entire compound with spectra: 3 NMR, and 1 FTIR

trans-4-(hexadecyloxy-3-nitrocinnamic acid
SpectraBase Compound ID 762yRc0vdIm
InChI InChI=1S/C25H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-24-18-16-22(17-19-25(27)28)21-23(24)26(29)30/h16-19,21H,2-15,20H2,1H3,(H,27,28)/b19-17+
InChIKey RMMSTJFHPLJJDS-HTXNQAPBSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H39NO5
Exact Mass 433.282823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JV5uIFQKZB9
Name trans-4-(HEXADECYLOXY)-3-NITROCINNAMIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO5
InChI InChI=1S/C25H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-24-18-16-22(17-19-25(27)28)21-23(24)26(29)30/h16-19,21H,2-15,20H2,1H3,(H,27,28)/b19-17+
InChIKey RMMSTJFHPLJJDS-HTXNQAPBSA-N
Instrument Name BRUKER AC-300
Molecular Weight 433.59
Solvent DMSO-d6; Reference=TMS; Temperature 297K