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Cyclopentanecarboxylic acid, 2-[2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl]-1-methyl-, cis-(.+-.)-
SpectraBase Compound ID JevzKUKsCLU
InChI InChI=1S/C16H20O5/c1-16(15(19)20)7-3-4-10(16)8-13(17)12-6-5-11(21-2)9-14(12)18/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,20)/t10-,16-/m1/s1
InChIKey RUMFMNGBLDQGQX-QLJPJBMISA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzOMlQI0Bwe
Name Cyclopentanecarboxylic acid, 2-[2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl]-1-methyl-, cis-(.+-.)-
CAS Registry Number 70433-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-16(15(19)20)7-3-4-10(16)8-13(17)12-6-5-11(21-2)9-14(12)18/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,20)/t10-,16-/m1/s1
InChIKey RUMFMNGBLDQGQX-QLJPJBMISA-N
Molecular Weight 292.331 g/mol
SMILES OC([C@]1([C@@](CC(c2c(cc(cc2)OC)O)=O)(CCC1)[H])C)=O
SPLASH splash10-0uxr-6910000000-43af4e447a1b92b34922
Source of Spectrum B-32-375-0
Synonyms (1R,2R)-2-[2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl]-1-methylcyclopentanecarboxylic acid c-2-(2'-hydroxy-4'-methoxybenzoylmethyl)-t-1-methylcyclopentane-r-1-carboxylic acid
Wiley ID 1295365