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(1S,3R)-cis-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropanecarboxylic acid
SpectraBase Compound ID LLk4jQYTmAV
InChI InChI=1S/C12H20O4/c1-11(2)8(9(11)10(13)14)4-5-12(3)15-6-7-16-12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKey BORYTKVNVJNRDI-RKDXNWHRSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yPI2gB2FZ
Name (1S,3R)-cis-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropanecarboxylic acid
CAS Registry Number 123541-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-11(2)8(9(11)10(13)14)4-5-12(3)15-6-7-16-12/h8-9H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKey BORYTKVNVJNRDI-RKDXNWHRSA-N
Molecular Weight 228.288 g/mol
SMILES OC([C@@]1(C([C@@]1(CCC1(OCCO1)C)[H])(C)C)[H])=O
SPLASH splash10-000i-9000000000-2491b042eec1d02e1ee3
Source of Spectrum J-55-130-10
Synonyms (1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropanecarboxylic acid
Wiley ID 1229543