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2-(2,2-dimethyl-3-oxanyl)propanoic acid
SpectraBase Compound ID CnPeTEldTKA
InChI InChI=1S/C10H18O3/c1-7(9(11)12)8-5-4-6-13-10(8,2)3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKey DXNGVCQDJZAQRJ-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3M9XBPTj8MA
Name 2-(2,2-dimethyl-3-oxanyl)propanoic acid
CAS Registry Number 112039-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(9(11)12)8-5-4-6-13-10(8,2)3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKey DXNGVCQDJZAQRJ-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES OC(C(C1C(OCCC1)(C)C)C)=O
SPLASH splash10-0a4l-9100000000-ed8bc9d795e067cc05cc
Source of Spectrum I-65-2699-4
Synonyms 2-(2,2-dimethyloxan-3-yl)propanoic acid 2-(2,2-dimethyltetrahydro-2H-pyran-3-yl)propanoic acid 2-(2,2-Dimethyltetrahydropyran-3-yl)propanoic acid 2-(2,2-dimethyltetrahydropyran-3-yl)propionic acid
Wiley ID 1182832