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(1R,2S)-2-Acetyl-1-methylcyclobutaneacetic acid
SpectraBase Compound ID HgvVwWCP4pA
InChI InChI=1S/C9H14O3/c1-6(11)7-3-4-9(7,2)8(12)5-10/h7,10H,3-5H2,1-2H3
InChIKey RAOATXSJNSEMRY-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ8D6uRRfKT
Name (1R,2S)-2-Acetyl-1-methylcyclobutaneacetic acid
CAS Registry Number 68225-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6(11)7-3-4-9(7,2)8(12)5-10/h7,10H,3-5H2,1-2H3
InChIKey RAOATXSJNSEMRY-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES OCC(C1(C(CC1)C(C)=O)C)=O
SPLASH splash10-0006-9100000000-0bf80cc60d0ea0fd6467
Source of Spectrum J-51-5231-19
Synonyms 1-(2-acetyl-1-methyl-cyclobutyl)-2-hydroxy-ethanone 1-(2-Ethanoyl-1-methyl-cyclobutyl)-2-oxidanyl-ethanone
Wiley ID 1166607