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Bicyclo[3.1.1]heptane-3-acetic acid, 2-(hydroxymethyl)-6,6-dimethyl-, [1S-(1.alpha.,2.beta.,3.alpha.,5.alpha.)]-
SpectraBase Compound ID Ij6pzPRlKAd
InChI InChI=1S/C12H20O3/c1-12(2)8-3-7(4-11(14)15)9(6-13)10(12)5-8/h7-10,13H,3-6H2,1-2H3,(H,14,15)/t7-,8+,9-,10+/m1/s1
InChIKey AYCSJHLHCWGXBM-RGOKHQFPSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2F4u1OI4qFi
Name Bicyclo[3.1.1]heptane-3-acetic acid, 2-(hydroxymethyl)-6,6-dimethyl-, [1S-(1.alpha.,2.beta.,3.alpha.,5.alpha.)]-
CAS Registry Number 86777-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-12(2)8-3-7(4-11(14)15)9(6-13)10(12)5-8/h7-10,13H,3-6H2,1-2H3,(H,14,15)/t7-,8+,9-,10+/m1/s1
InChIKey AYCSJHLHCWGXBM-RGOKHQFPSA-N
Molecular Weight 212.289 g/mol
SMILES OC[C@@]1([C@@](CC(=O)O)(C[C@@]2(C([C@]1(C2)[H])(C)C)[H])[H])[H]
SPLASH splash10-002f-9600000000-0d9dba4c04940e3bedf3
Source of Spectrum H-66-1001-0
Synonyms (+)-(1S,2R,3R,5S)-10-Hydroxy-3-pinanacetic acid [(1S,2R,3R,5S)-2-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]acetic acid
Wiley ID 1211478