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8-Oxabicyclo[3.2.1]oct-6-ene-2-carbonitrile, 4-methyl-3-oxo-, (2-endo,4-exo)-
SpectraBase Compound ID GrcoQuFxrdq
InChI InChI=1S/C9H9NO2/c1-5-7-2-3-8(12-7)6(4-10)9(5)11/h2-3,5-8H,1H3/t5-,6-,7+,8+/m1/s1
InChIKey CNIZNIPZTIQCTF-NGJRWZKOSA-N
Mol Weight 163.18 g/mol
Molecular Formula C9H9NO2
Exact Mass 163.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OrDMCb98Wh
Name 8-Oxabicyclo[3.2.1]oct-6-ene-2-carbonitrile, 4-methyl-3-oxo-, (2-endo,4-exo)-
Alternate Name(s) 4-Methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-ene-2-carbonitrile 4exo and 4endo-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-endo-2-carbonitrile
CAS Registry Number 81056-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2
InChI InChI=1S/C9H9NO2/c1-5-7-2-3-8(12-7)6(4-10)9(5)11/h2-3,5-8H,1H3/t5-,6-,7+,8+/m1/s1
InChIKey CNIZNIPZTIQCTF-NGJRWZKOSA-N
Molecular Weight 163.176 g/mol
SMILES [C@]1(C([C@](C)([C@]2(O[C@]1(C=C2)[H])[H])[H])=O)(C#N)[H]
SPLASH splash10-0a4i-0900000000-4f880f0a3347574981da
Source of Spectrum K-115-377-0
Wiley ID 1159438