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1,1-Cyclopentanediacetic acid, 2-methyl-5-(1-methylethyl)-, cis-(.+-.)-
SpectraBase Compound ID BIfvUE3dFOO
InChI InChI=1S/C13H22O4/c1-8(2)10-5-4-9(3)13(10,6-11(14)15)7-12(16)17/h8-10H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t9-,10-/m1/s1
InChIKey GKCDOGOITFEQHR-NXEZZACHSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eJL8N1ZJUq
Name 1,1-Cyclopentanediacetic acid, 2-methyl-5-(1-methylethyl)-, cis-(.+-.)-
CAS Registry Number 56326-42-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-8(2)10-5-4-9(3)13(10,6-11(14)15)7-12(16)17/h8-10H,4-7H2,1-3H3,(H,14,15)(H,16,17)/t9-,10-/m1/s1
InChIKey GKCDOGOITFEQHR-NXEZZACHSA-N
Molecular Weight 242.315 g/mol
SMILES OC(CC1(CC(=O)O)[C@](CC[C@]1(C)[H])(C(C)C)[H])=O
SPLASH splash10-008i-0920000000-0e7c397745e74e34d703
Source of Spectrum K-109-2818-0
Synonyms racemic 2R-isopropyl-5c-methyl-1,1-cyclopentandiacetic acid [(2R,5R)-1-(carboxymethyl)-2-isopropyl-5-methylcyclopentyl]acetic acid
Wiley ID 1244934