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1,1-Cyclopentanedicarboxylic acid, 2-[(4-methylphenyl)methyl]-, dimethyl ester
SpectraBase Compound ID ClYMRZdLGEc
InChI InChI=1S/C17H22O4/c1-12-6-8-13(9-7-12)11-14-5-4-10-17(14,15(18)20-2)16(19)21-3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKey BHWQBDHSGWJXKS-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HmkBExlaT8
Name 1,1-Cyclopentanedicarboxylic acid, 2-[(4-methylphenyl)methyl]-, dimethyl ester
Alternate Name(s) 1,1-Dimethoxycarbonyl-2-O-tolyl-cyclopentane Dimethyl 2-(4-methylbenzyl)-1,1-cyclopentanedicarboxylate
CAS Registry Number 133124-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-12-6-8-13(9-7-12)11-14-5-4-10-17(14,15(18)20-2)16(19)21-3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKey BHWQBDHSGWJXKS-UHFFFAOYSA-N
Molecular Weight 290.359 g/mol
SMILES C1(C(Cc2ccc(cc2)C)CCC1)(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-5900000000-e88ee26f59e0fedb00d4
Source of Spectrum F-46-7771-10
Wiley ID 1293720