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1,2-Benzenediol, o-(6-chlorohexanoyl)-o'-(3-methylbut-2-enoyl)-
SpectraBase Compound ID 3P5YlQkkdzi
InChI InChI=1S/C17H21ClO4/c1-13(2)12-17(20)22-15-9-6-5-8-14(15)21-16(19)10-4-3-7-11-18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKey RJIYGFIVMJRXFU-UHFFFAOYSA-N
Mol Weight 324.8 g/mol
Molecular Formula C17H21ClO4
Exact Mass 324.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lv3rsjTGwzr
Name 1,2-Benzenediol, o-(6-chlorohexanoyl)-o'-(3-methylbut-2-enoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.112836852 u
Formula C17H21ClO4
InChI InChI=1S/C17H21ClO4/c1-13(2)12-17(20)22-15-9-6-5-8-14(15)21-16(19)10-4-3-7-11-18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKey RJIYGFIVMJRXFU-UHFFFAOYSA-N
Molecular Weight 324.804 g/mol
SMILES C1(=CC=CC=C1OC(=O)CCCCCCl)OC(=O)C=C(C)C