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1,2-Benzenediol, o-(5-chlorovaleryl)-o'-(4-methylbenzoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(5-chlorovaleryl)-o'-(4-methylbenzoyl)-
SpectraBase Compound ID 6nCwidi0Vqi
InChI InChI=1S/C19H19ClO4/c1-14-9-11-15(12-10-14)19(22)24-17-7-3-2-6-16(17)23-18(21)8-4-5-13-20/h2-3,6-7,9-12H,4-5,8,13H2,1H3
InChIKey SGNHZPKIEZRTBC-UHFFFAOYSA-N
Mol Weight 346.81 g/mol
Molecular Formula C19H19ClO4
Exact Mass 346.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64mW1OjZlru
Name 1,2-Benzenediol, o-(5-chlorovaleryl)-o'-(4-methylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.097186788 u
Formula C19H19ClO4
InChI InChI=1S/C19H19ClO4/c1-14-9-11-15(12-10-14)19(22)24-17-7-3-2-6-16(17)23-18(21)8-4-5-13-20/h2-3,6-7,9-12H,4-5,8,13H2,1H3
InChIKey SGNHZPKIEZRTBC-UHFFFAOYSA-N
Molecular Weight 346.810 g/mol
SMILES CC1=CC=C(C(OC=2C(=CC=CC2)OC(CCCCCl)=O)=O)C=C1