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ethyl 2-(2,2-dimethylcyclopentyl)propanoate
SpectraBase Compound ID 5GE5WBMO1VC
InChI InChI=1S/C12H22O2/c1-5-14-11(13)9(2)10-7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3
InChIKey VADRUBNXBGKUKP-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2NKmOJeDSk
Name ethyl 2-(2,2-dimethylcyclopentyl)propanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-5-14-11(13)9(2)10-7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3
InChIKey VADRUBNXBGKUKP-UHFFFAOYSA-N
Instrument Name MSD5975C
Ionization Type EI
Molecular Weight 198.306 g/mol
SMILES C(OC(=O)C(C1CCCC1(C)C)C)C
SPLASH splash10-0udi-8900000000-13f71f32899942c16e80
Sample Comments Major isomer, dr = 15:1
Source of Spectrum WO2017097884A1
Wiley ID 1855407