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(3S,4R)-3-Cyano-4-methyl-5,5-pentamethylenetetrahydrofuranone
SpectraBase Compound ID KMrll9Ik3yt
InChI InChI=1S/C11H15NO2/c1-8-9(7-12)10(13)14-11(8)5-3-2-4-6-11/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
InChIKey WRILYEDLMRSLHN-RKDXNWHRSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I88faYKuG
Name (3S,4R)-3-Cyano-4-methyl-5,5-pentamethylenetetrahydrofuranone
Appearance White crystals
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Formula C11H15NO2
InChI InChI=1S/C11H15NO2/c1-8-9(7-12)10(13)14-11(8)5-3-2-4-6-11/h8-9H,2-6H2,1H3/t8-,9-/m1/s1
InChIKey WRILYEDLMRSLHN-RKDXNWHRSA-N
Instrument Name MX-1321A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.931
Molecular Weight 193.246 g/mol
SMILES C12(OC([C@@]([C@]2(C)[H])(C#N)[H])=O)CCCCC1
SPLASH splash10-0gc3-9200000000-b4b0240988773f9cf06b
Source of Spectrum ARK-2011-426-4a
Wiley ID 1864539