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(+-)-(1S*,2S*,3S*)ethyl-3-hydroxymethyl-5-oxo-2;-propylcyclopentylacetate

View entire compound with spectra: 2 MS (GC)

(+-)-(1S*,2S*,3S*)ethyl-3-hydroxymethyl-5-oxo-2;-propylcyclopentylacetate
SpectraBase Compound ID 5VIlPZyWx8w
InChI InChI=1S/C13H22O4/c1-3-5-10-9(8-14)6-12(15)11(10)7-13(16)17-4-2/h9-11,14H,3-8H2,1-2H3/t9-,10+,11+/m1/s1
InChIKey ULSFMGUTDZXBNC-VWYCJHECSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzhmpNqHkSw
Name (+-)-(1S*,2S*,3S*)ethyl-3-hydroxymethyl-5-oxo-2;-propylcyclopentylacetate
Alternate Name(s) (+-)-(1S*,2S*,3S*)Ethyl-3-hydroxymethyl-5-oxo-2 -Propylcyclopentylacetate Ethyl[(1S,2S,3S)-3-(hydroxymethyl)-5-oxo-2-propylcyclopentyl]acetate
CAS Registry Number 123620-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-3-5-10-9(8-14)6-12(15)11(10)7-13(16)17-4-2/h9-11,14H,3-8H2,1-2H3/t9-,10+,11+/m1/s1
InChIKey ULSFMGUTDZXBNC-VWYCJHECSA-N
Molecular Weight 242.315 g/mol
SMILES OC[C@@]1([C@@]([C@@](C(C1)=O)(CC(=O)OCC)[H])(CCC)[H])[H]
SPLASH splash10-0k95-2900000000-a4aa971752487248f8d1
Source of Spectrum F-45-1402-14
Wiley ID 1244944