John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5OsuT4KB1En SpectraBase Spectrum ID=1J9OClSEsYq

(accessed ).
1,3-Adamantanediacetic acid
SpectraBase Compound ID 5OsuT4KB1En
InChI InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)/t9-,10+,13-,14+
InChIKey UTENGZNBNPABQE-IOQCUFBNSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1J9OClSEsYq
Name 1,3-ADAMANTANEDIACETIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)/t9-,10+,13-,14+
InChIKey UTENGZNBNPABQE-IOQCUFBNSA-N
Melting Point 234-237C
Molecular Weight 252.31
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID BKwwJcMgIXq