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1,1-Cyclohexanediacetic acid
SpectraBase Compound ID GMTtoWIfpYs
InChI InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
InChIKey YQPCHPBGAALCRT-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78NEDeweMNs
Name 1,1-Cyclohexanediacetic acid
Alternate Name(s) 2-[1-(2-hydroxy-2-oxoethyl)cyclohexyl]ethanoic acid
CAS Registry Number 4355-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
InChIKey YQPCHPBGAALCRT-UHFFFAOYSA-N
Molecular Weight 200.234 g/mol
SMILES OC(CC1(CC(=O)O)CCCCC1)=O
SPLASH splash10-008c-9500000000-c40d8840dc85dd0be1aa
Source of Spectrum NP-4-919-0
Wiley ID 1103561