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4-Pentylcyclohexane-1,1-diacetic acid

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4-Pentylcyclohexane-1,1-diacetic acid
SpectraBase Compound ID BDD7RbiAAMC
InChI InChI=1S/C15H26O4/c1-2-3-4-5-12-6-8-15(9-7-12,10-13(16)17)11-14(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKey ZQVJZMVLTJZEIR-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xFLz2hUgB5
Name 4-Pentylcyclohexane-1,1-diacetic acid
Alternate Name(s) [1-(carboxymethyl)-4-pentylcyclohexyl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-2-3-4-5-12-6-8-15(9-7-12,10-13(16)17)11-14(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKey ZQVJZMVLTJZEIR-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES OC(CC1(CC(=O)O)CCC(CC1)CCCCC)=O
SPLASH splash10-0w2c-0940000000-3b470d6350019fc2adb3
Source of Spectrum U-1995-1322-4
Wiley ID 767197