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3'-Hydroxy-5'-pentylphenyl 2,4-dihydroxy-6-propylbenzoate
SpectraBase Compound ID AxGTgwJcFAI
InChI InChI=1S/C21H26O5/c1-3-5-6-8-14-9-16(22)12-18(10-14)26-21(25)20-15(7-4-2)11-17(23)13-19(20)24/h9-13,22-24H,3-8H2,1-2H3
InChIKey FOKMFIBQVFELAP-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6zP96BEjO
Name 3'-Hydroxy-5'-pentylphenyl 2,4-dihydroxy-6-propylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.178023932 u
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-3-5-6-8-14-9-16(22)12-18(10-14)26-21(25)20-15(7-4-2)11-17(23)13-19(20)24/h9-13,22-24H,3-8H2,1-2H3
InChIKey FOKMFIBQVFELAP-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES C=1(C(OC=2C=C(O)C=C(C2)CCCCC)=O)C(=CC(=CC1CCC)O)O