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Glutaric acid, 2-chloro-4-methoxyphenyl hept-2-yl ester
SpectraBase Compound ID FFy1ILEXs0T
InChI InChI=1S/C19H27ClO5/c1-4-5-6-8-14(2)24-18(21)9-7-10-19(22)25-17-12-11-15(23-3)13-16(17)20/h11-14H,4-10H2,1-3H3
InChIKey AWAIEGKFZQATBO-UHFFFAOYSA-N
Mol Weight 370.87 g/mol
Molecular Formula C19H27ClO5
Exact Mass 370.154702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvHUpL0drT8
Name Glutaric acid, 2-chloro-4-methoxyphenyl hept-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.154701664 u
Formula C19H27ClO5
InChI InChI=1S/C19H27ClO5/c1-4-5-6-8-14(2)24-18(21)9-7-10-19(22)25-17-12-11-15(23-3)13-16(17)20/h11-14H,4-10H2,1-3H3
InChIKey AWAIEGKFZQATBO-UHFFFAOYSA-N
Molecular Weight 370.873 g/mol
SMILES C(CCCC(OC(C)CCCCC)=O)(OC1=CC=C(OC)C=C1Cl)=O