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1,1-Cyclopentanedicarboxylic acid, 3-benzoyl-4-(2-methoxy-2-oxoethyl)-, dimethyl ester, trans-
SpectraBase Compound ID BHeCtnvFFxf
InChI InChI=1S/C19H22O7/c1-24-15(20)9-13-10-19(17(22)25-2,18(23)26-3)11-14(13)16(21)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKey HECUVDNCTPHJAA-KBPBESRZSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3grDo0mct8J
Name 1,1-Cyclopentanedicarboxylic acid, 3-benzoyl-4-(2-methoxy-2-oxoethyl)-, dimethyl ester, trans-
CAS Registry Number 106192-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-24-15(20)9-13-10-19(17(22)25-2,18(23)26-3)11-14(13)16(21)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKey HECUVDNCTPHJAA-KBPBESRZSA-N
Molecular Weight 362.378 g/mol
SMILES C1(C[C@](C(=O)c2ccccc2)([C@](C1)(CC(=O)OC)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-1901000000-20a280cbb9f3e46b38ab
Source of Spectrum J-52-466-9
Synonyms Dimethyl (3S,4R)-3-benzoyl-4-(2-methoxy-2-oxoethyl)-1,1-cyclopentanedicarboxylate Dimethyl trans-3-benzoyl-4-[(methoxycarbonyl)-methyl]-1,1-cyclopentanedicarboxylate
Wiley ID 1349502