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Benzoic acid, 3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID 3KcqGFqOvHy
InChI InChI=1S/C17H17ClO4/c1-3-21-17(20)15-11(2)16(18)14(9-13(15)19)22-10-12-7-5-4-6-8-12/h4-9,19H,3,10H2,1-2H3
InChIKey BHVXFDZDRLGQIM-UHFFFAOYSA-N
Mol Weight 320.77 g/mol
Molecular Formula C17H17ClO4
Exact Mass 320.081537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMQn8bDijOe
Name Benzoic acid, 3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.081536723 u
Formula C17H17ClO4
InChI InChI=1S/C17H17ClO4/c1-3-21-17(20)15-11(2)16(18)14(9-13(15)19)22-10-12-7-5-4-6-8-12/h4-9,19H,3,10H2,1-2H3
InChIKey BHVXFDZDRLGQIM-UHFFFAOYSA-N
Molecular Weight 320.772 g/mol
SMILES C=1(C(=C(Cl)C(=CC1O)OCC=1C=CC=CC1)C)C(=O)OCC