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2,4-Dimethoxy-6-[(E,6R)-6-phenylmethoxyhept-3-enyl]benzoic acid

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

2,4-Dimethoxy-6-[(E,6R)-6-phenylmethoxyhept-3-enyl]benzoic acid
SpectraBase Compound ID AvRc3LINtP3
InChI InChI=1S/C23H28O5/c1-17(28-16-18-11-7-5-8-12-18)10-6-4-9-13-19-14-20(26-2)15-21(27-3)22(19)23(24)25/h4-8,11-12,14-15,17H,9-10,13,16H2,1-3H3,(H,24,25)/b6-4+/t17-/m1/s1
InChIKey ZPDPXOYFCGTQTF-UKINESCASA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ce2igZWb5Y2
Name 2,4-Dimethoxy-6-[(E,6R)-6-phenylmethoxyhept-3-enyl]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-17(28-16-18-11-7-5-8-12-18)10-6-4-9-13-19-14-20(26-2)15-21(27-3)22(19)23(24)25/h4-8,11-12,14-15,17H,9-10,13,16H2,1-3H3,(H,24,25)/b6-4+/t17-/m1/s1
InChIKey ZPDPXOYFCGTQTF-UKINESCASA-N
Molecular Weight 384.472 g/mol
SMILES C=1(C(=CC(=CC1CC\C=C\C[C@](OCC=1C=CC=CC1)(C)[H])OC)OC)C(=O)O