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(1R*,3S*,4R*,5R*)-(+-)-3-Cyano-4-(1-oxopentyl)-2-oxabicyclo[3.3.0]octane
SpectraBase Compound ID 1dnsh7OPcEi
InChI InChI=1S/C13H19NO2/c1-2-3-6-10(15)13-9-5-4-7-11(9)16-12(13)8-14/h9,11-13H,2-7H2,1H3/t9-,11+,12+,13-/m0/s1
InChIKey KWNLXBKTWLZKBA-SQNXGDPESA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bTxDKF7enq
Name (1R*,3S*,4R*,5R*)-(+-)-3-Cyano-4-(1-oxopentyl)-2-oxabicyclo[3.3.0]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-2-3-6-10(15)13-9-5-4-7-11(9)16-12(13)8-14/h9,11-13H,2-7H2,1H3/t9-,11+,12+,13-/m0/s1
InChIKey KWNLXBKTWLZKBA-SQNXGDPESA-N
Molecular Weight 221.300 g/mol
SMILES [C@]1(O[C@@]2(CCC[C@@]2([C@]1(C(=O)CCCC)[H])[H])[H])(C#N)[H]
SPLASH splash10-000i-5920000000-0bf4252e25011ab7eb26
Source of Spectrum F-55-10130-14
Synonyms (2S,3R,3aR,6aR)-3-pentanoylhexahydro-2H-cyclopenta[b]furan-2-carbonitrile (2S,3R,3aR,6aR)-3-(1-oxopentyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carbonitrile (2S,3R,3aR,6aR)-3-pentanoyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carbonitrile
Wiley ID 838880