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2.beta.-[(Carboethoxy)methyl]-2-(carbomethoxy)-3.alpha.-methyl-cyclopentanone
SpectraBase Compound ID DmgftTc1sNm
InChI InChI=1S/C12H18O5/c1-4-17-10(14)7-12(11(15)16-3)8(2)5-6-9(12)13/h8H,4-7H2,1-3H3/t8-,12-/m1/s1
InChIKey QOOANFVLPUUDBV-PRHODGIISA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDKh53IgSAM
Name 2.beta.-[(Carboethoxy)methyl]-2-(carbomethoxy)-3.alpha.-methyl-cyclopentanone
CAS Registry Number 80781-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-4-17-10(14)7-12(11(15)16-3)8(2)5-6-9(12)13/h8H,4-7H2,1-3H3/t8-,12-/m1/s1
InChIKey QOOANFVLPUUDBV-PRHODGIISA-N
Molecular Weight 242.271 g/mol
SMILES [C@@]1(C(=O)OC)(C(CC[C@]1(C)[H])=O)CC(=O)OCC
SPLASH splash10-0a5a-9820000000-91cba9108b043bb26286
Source of Spectrum J-47-1525-0
Synonyms Methyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2-methyl-5-oxocyclopentanecarboxylate
Wiley ID 1244820