2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-

SpectraBase Compound ID	A1YdJOsZsaI
InChI	InChI=1S/C16H19NO3/c18-10-15-13-6-8-14(9-7-13)17(15)16(19)20-11-12-4-2-1-3-5-12/h1-6,8,13-15,18H,7,9-11H2/t13-,14+,15-/m0/s1
InChIKey	NGTOCEADENIHAY-ZNMIVQPWSA-N Google Search
Mol Weight	273.33 g/mol
Molecular Formula	C16H19NO3
Exact Mass	273.136493 g/mol

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SpectraBase Spectrum ID	LfpCRXg3CwP
Name	2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-
Alternate Name(s)	2-Benzyloxycarbonyl-2-azabicyclo[2.2.2]oct-5-en-3-yl methanol benzyl (1S,3R,4R)-3-(hydroxymethyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CAS Registry Number	65961-23-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H19NO3
InChI	InChI=1S/C16H19NO3/c18-10-15-13-6-8-14(9-7-13)17(15)16(19)20-11-12-4-2-1-3-5-12/h1-6,8,13-15,18H,7,9-11H2/t13-,14+,15-/m0/s1
InChIKey	NGTOCEADENIHAY-ZNMIVQPWSA-N
Molecular Weight	273.332 g/mol
SMILES	OC[C@@]1(N(C(OCc2ccccc2)=O)[C@@]2(C=C[C@@]1([H])CC2)[H])[H]
SPLASH	splash10-0596-0940000000-a7367e2680dd8e278c09
Source of Spectrum	KC-1977-2346-0
Wiley ID	1277298