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2-[(1S,5R)-1-formyl-6-oxaspiro[4.6]undecan-1-yl]acetonitrile
SpectraBase Compound ID LvhMC3l7w4C
InChI InChI=1S/C13H19NO2/c14-9-8-12(11-15)5-4-7-13(12)6-2-1-3-10-16-13/h11H,1-8,10H2/t12-,13-/m1/s1
InChIKey NPEXRVSFHGXTBO-CHWSQXEVSA-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 7fNOW2FfovC
Name 2-[(1S,5R)-1-formyl-6-oxaspiro[4.6]undecan-1-yl]acetonitrile
Alternate Name(s) trans-1-Formyl-6-oxaspiro[4.6]undec-1-ylacetonitrile ((1R*,5R*)/(1R*,5S*))-1-Formyl-6-oxaspiro[4.6]undec-1-ylacetonitrile 2-[(4S,5R)-4-formyl-11-oxaspiro[4.6]undecan-4-yl]acetonitrile 2-[(4S,5R)-4-methanoyl-11-oxaspiro[4.6]undecan-4-yl]ethanenitrile [(1S,5R)-1-formyl-6-oxaspiro[4.6]undec-1-yl]acetonitrile 2-[(4S,5R)-4-methanoyl-6-oxaspiro[4.6]undecan-4-yl]ethanenitrile
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Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c14-9-8-12(11-15)5-4-7-13(12)6-2-1-3-10-16-13/h11H,1-8,10H2/t12-,13-/m1/s1
InChIKey NPEXRVSFHGXTBO-CHWSQXEVSA-N
Molecular Weight 221.300 g/mol
SMILES [C@]1([C@]2(OCCCCC2)CCC1)(C=O)CC#N
SPLASH splash10-004i-2900000000-1b36f60a5a79901e14ac
Source of Spectrum F2-43-1627-4
Wiley ID 1553125