(+)-(1S,6S,7S,1'R)-7-(1'-acetoxyethyl)-6-(benzyloxy)-2-azabicyclo[2.2.2]octane

SpectraBase Compound ID	FqymIC26buV
InChI	InChI=1S/C18H25NO3/c1-12(22-13(2)20)16-8-15-9-17(18(16)19-10-15)21-11-14-6-4-3-5-7-14/h3-7,12,15-19H,8-11H2,1-2H3/t12-,15?,16-,17+,18+/m1/s1
InChIKey	ZLPWSZWYQCICMK-BVXMROAISA-N Google Search
Mol Weight	303.4 g/mol
Molecular Formula	C18H25NO3
Exact Mass	303.183444 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	K8Q2X2iyBEF
Name	(+)-(1S,6S,7S,1'R)-7-(1'-acetoxyethyl)-6-(benzyloxy)-2-azabicyclo[2.2.2]octane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	303.183443666 u
Formula	C18H25NO3
InChI	InChI=1S/C18H25NO3/c1-12(22-13(2)20)16-8-15-9-17(18(16)19-10-15)21-11-14-6-4-3-5-7-14/h3-7,12,15-19H,8-11H2,1-2H3/t12-,15?,16-,17+,18+/m1/s1
InChIKey	ZLPWSZWYQCICMK-BVXMROAISA-N
Molecular Weight	303.402 g/mol
SMILES	[C@@]1([C@@]2(NCC(C[C@@]2(OCC=2C=CC=CC2)[H])C1)[H])([C@](OC(=O)C)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.950488