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cyclopentanemalonic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

cyclopentanemalonic acid
SpectraBase Compound ID GuhS4CxfsB3
InChI InChI=1S/C8H12O4/c9-7(10)6(8(11)12)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey DRHLPIHNSBNMFF-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLYOnFPIn2q
Name 2-Cyclopentylmalonic acid
Alternate Name(s) Cyclopentanemalonic acid Cyclopentylmalonic acid
CAS Registry Number 5660-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-7(10)6(8(11)12)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey DRHLPIHNSBNMFF-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES OC(C(C(=O)O)C1CCCC1)=O
SPLASH splash10-0aou-9300000000-e59fefc211fc61b900ed
Source of Spectrum NP-2-5588-0
Wiley ID 1101246