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(+/-)-(1'R*,2'S*,4'S*,5'R*,8'S*)-ETHYL-3'-OXOTRICYCLO-[3.3.0.0(2',8')]-OCT-4'-YL-ACETATE
SpectraBase Compound ID KnKP1VAnhat
InChI InChI=1S/C12H16O3/c1-2-15-9(13)5-8-6-3-4-7-10(6)11(7)12(8)14/h6-8,10-11H,2-5H2,1H3
InChIKey NHKQRXCJLFNMIC-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D69fEgZUz9e
Name (+-)-(1'R,2S,4'S,5R,8S)-Ethyl-3'-oxotricyclo[3.3.0.0(2',8')]oct-4'-yl acetate
Alternate Name(s) Ethyl (2-oxooctahydrocyclopropa[cd]pentalen-1-yl)acetate
CAS Registry Number 128890-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-2-15-9(13)5-8-6-3-4-7-10(6)11(7)12(8)14/h6-8,10-11H,2-5H2,1H3
InChIKey NHKQRXCJLFNMIC-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C12C3C(C(C2=O)CC(=O)OCC)CCC13
SPLASH splash10-001i-9000000000-46271e90dfb905540654
Source of Spectrum F-46-414-5
Wiley ID 1206884