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3-Oxatricyclo[4.2.1.02,5]nonane, butanenitrile deriv.
SpectraBase Compound ID 9eXD20g6nIn
InChI InChI=1S/C14H17NO/c1-14(2,3)10(7-15)13-11-8-4-5-9(6-8)12(11)16-13/h4-5,8-9,11-12H,6H2,1-3H3/b13-10-
InChIKey JMKSCOAWUQWVQT-RAXLEYEMSA-N
Mol Weight 215.3 g/mol
Molecular Formula C14H17NO
Exact Mass 215.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JD0chQ3AXaZ
Name 3-Oxatricyclo[4.2.1.02,5]nonane, butanenitrile deriv.
CAS Registry Number 127086-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO
InChI InChI=1S/C14H17NO/c1-14(2,3)10(7-15)13-11-8-4-5-9(6-8)12(11)16-13/h4-5,8-9,11-12H,6H2,1-3H3/b13-10-
InChIKey JMKSCOAWUQWVQT-RAXLEYEMSA-N
Molecular Weight 215.296 g/mol
SMILES C12\C(OC1C1C=CC2C1)=C/(C#N)C(C)(C)C
SPLASH splash10-0k96-9560000000-c858daa185e236b7cdd8
Source of Spectrum J-55-3713-8
Synonyms Butanenitrile, 3,3-dimethyl-2-(3-oxatricyclo[4.2.1.02,5]non-7-en-4-ylidene)- (2E)-3,3-dimethyl-2-(3-oxatricyclo[4.2.1.0(2,5)]non-7-en-4-ylidene)butanenitrile 4-(tert-butylcyanomethylene)-3-oxatricyclo[4.2.1.0(2,5)]non-7-ene
Wiley ID 1214766