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1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(isobutyryl)-
SpectraBase Compound ID 9xbRqiWYzIJ
InChI InChI=1S/C16H21ClO4/c1-12(2)16(19)21-14-8-6-7-13(11-14)20-15(18)9-4-3-5-10-17/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKey OEAVFBDDCWNMRF-UHFFFAOYSA-N
Mol Weight 312.79 g/mol
Molecular Formula C16H21ClO4
Exact Mass 312.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nd8UyphP4d
Name 1,3-Benzenediol, o-(6-chlorohexanoyl)-o'-(isobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.112836852 u
Formula C16H21ClO4
InChI InChI=1S/C16H21ClO4/c1-12(2)16(19)21-14-8-6-7-13(11-14)20-15(18)9-4-3-5-10-17/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKey OEAVFBDDCWNMRF-UHFFFAOYSA-N
Molecular Weight 312.793 g/mol
SMILES C1(=CC(=CC=C1)OC(=O)CCCCCCl)OC(C(C)C)=O