Sodium 2-benzyl-trans-7-cyano-cis-2-azabicyclo[4.2.0]octane-6-carboxylate

SpectraBase Compound ID	8Wx7KZwBwVR
InChI	InChI=1S/C16H18N2O2.Na/c17-10-13-9-14-16(13,15(19)20)7-4-8-18(14)11-12-5-2-1-3-6-12;/h1-3,5-6,13-14H,4,7-9,11H2,(H,19,20);/q;+1/p-1/t13-,14-,16-;/m0./s1
InChIKey	MISBDDWZLWESHL-LRRYJFTCSA-M Google Search
Mol Weight	292.31 g/mol
Molecular Formula	C16H17N2NaO2
Exact Mass	292.118772 g/mol

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SpectraBase Spectrum ID	G9l9zase5Ud
Name	Sodium 2-benzyl-trans-7-cyano-cis-2-azabicyclo[4.2.0]octane-6-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H17N2NaO2
InChI	InChI=1S/C16H18N2O2.Na/c17-10-13-9-14-16(13,15(19)20)7-4-8-18(14)11-12-5-2-1-3-6-12;/h1-3,5-6,13-14H,4,7-9,11H2,(H,19,20);/q;+1/p-1/t13-,14-,16-;/m0./s1
InChIKey	MISBDDWZLWESHL-LRRYJFTCSA-M
Molecular Weight	292.314 g/mol
SMILES	[Na+].[C@]12([C@](N(Cc3ccccc3)CCC1)([H])C[C@]2(C#N)[H])C([O-])=O
SPLASH	splash10-00kf-9140000000-4a34437e4507a91dc75d
Source of Spectrum	KC-1992-2037-14
Synonyms	sodium (1S,6S,7R)-2-benzyl-7-cyano-2-azabicyclo[4.2.0]octane-6-carboxylate
Wiley ID	776716