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Ethyl 3-chloro-2-hydroxy-6-[2'-(cyclopentyl)ethyl]-4-methoxybenzoate
SpectraBase Compound ID FY3i5lzpHJK
InChI InChI=1S/C17H23ClO4/c1-3-22-17(20)14-12(9-8-11-6-4-5-7-11)10-13(21-2)15(18)16(14)19/h10-11,19H,3-9H2,1-2H3
InChIKey PDUKTLNYOWCFHM-UHFFFAOYSA-N
Mol Weight 326.82 g/mol
Molecular Formula C17H23ClO4
Exact Mass 326.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15wNZSVHCG1
Name Ethyl 3-chloro-2-hydroxy-6-[2'-(cyclopentyl)ethyl]-4-methoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.128486917 u
Formula C17H23ClO4
InChI InChI=1S/C17H23ClO4/c1-3-22-17(20)14-12(9-8-11-6-4-5-7-11)10-13(21-2)15(18)16(14)19/h10-11,19H,3-9H2,1-2H3
InChIKey PDUKTLNYOWCFHM-UHFFFAOYSA-N
Molecular Weight 326.820 g/mol
SMILES C=1(C(=C(Cl)C(=CC1CCC1CCCC1)OC)O)C(=O)OCC