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2-{[4-(propan-2-yl)cyclohexyl]formamido}acetic acid
SpectraBase Compound ID CVkbl8kbzJ4
InChI InChI=1S/C12H21NO3/c1-8(2)9-3-5-10(6-4-9)12(16)13-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKey XNNOVXYFWCUZAG-UHFFFAOYSA-N
Mol Weight 227.3 g/mol
Molecular Formula C12H21NO3
Exact Mass 227.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n74sZyuOmN
Name 2-{[4-(propan-2-yl)cyclohexyl]formamido}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO3
InChI InChI=1S/C12H21NO3/c1-8(2)9-3-5-10(6-4-9)12(16)13-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKey XNNOVXYFWCUZAG-UHFFFAOYSA-N
Molecular Weight 227.304 g/mol
SMILES N(C(C1CCC(CC1)C(C)C)=O)CC(=O)O
SPLASH splash10-069u-9400000000-240430bb73b14528ef67
Source of Spectrum IY-2-5102-7
Synonyms Acetic acid, 2-[[[4-(1-methylethyl)cyclohexyl]carbonyl]amino]- 2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]acetic acid 2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid 2-[(4-propan-2-ylcyclohexyl)carbonylamino]ethanoic acid
Wiley ID 1659010