2-Oxabicyclo[2.2.1]heptane, butanenitrile deriv.

SpectraBase Compound ID	Dw3zKbVtDFv
InChI	InChI=1S/C12H17NO/c1-12(2,3)10(7-13)11-8-4-5-9(6-8)14-11/h8-9H,4-6H2,1-3H3/b11-10-/t8-,9+/m0/s1
InChIKey	UYHSOVKRHYMUEA-KECLLJLKSA-N Google Search
Mol Weight	191.27 g/mol
Molecular Formula	C12H17NO
Exact Mass	191.131014 g/mol

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SpectraBase Spectrum ID	up9qI9SKaE
Name	2-Oxabicyclo[2.2.1]heptane, butanenitrile deriv.
Alternate Name(s)	Butanenitrile, 3,3-dimethyl-2-(2-oxabicyclo[2.2.1]hept-3-ylidene)- (2E)-3,3-dimethyl-2-(2-oxabicyclo[2.2.1]hept-3-ylidene)butanenitrile 3-(tert-butylcyanomethylene)-2-oxabicyclo[2.2.1]heptane
CAS Registry Number	127086-65-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H17NO
InChI	InChI=1S/C12H17NO/c1-12(2,3)10(7-13)11-8-4-5-9(6-8)14-11/h8-9H,4-6H2,1-3H3/b11-10-/t8-,9+/m0/s1
InChIKey	UYHSOVKRHYMUEA-KECLLJLKSA-N
Molecular Weight	191.274 g/mol
SMILES	C(\C(=C\1O[C@]2(C[C@@]1(CC2)[H])[H])C(C)(C)C)#N
SPLASH	splash10-0a4l-1900000000-7b953263276a5a437ec8
Source of Spectrum	J-55-3713-7
Wiley ID	1187695