(3R,4S,5S)-[1-Benzyl-4,5-(isopropylidenedioxy)piperidin-3-yl]formate

SpectraBase Compound ID	Jy03wyP1FBa
InChI	InChI=1S/C16H21NO4/c1-16(2)20-14-10-17(8-12-6-4-3-5-7-12)9-13(19-11-18)15(14)21-16/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey	QKWMPXZKAGHZSV-QLFBSQMISA-N Google Search
Mol Weight	291.35 g/mol
Molecular Formula	C16H21NO4
Exact Mass	291.147058 g/mol

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SpectraBase Spectrum ID	5EENHCJs2Ch
Name	(3R,4S,5S)-[1-Benzyl-4,5-(isopropylidenedioxy)piperidin-3-yl]formate
Alternate Name(s)	(3aS,7R,7aS)-5-benzyl-2,2-dimethylhexahydro[1,3]dioxolo[4,5-c]pyridin-7-yl formate formic acid[(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]ester formic acid[(3aS,7R,7aS)-5-benzyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]ester [(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]methanoate [(3aS,7R,7aS)-5-benzyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl]formate formic acid [(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl] ester [(3aS,7R,7aS)-5-benzyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl] formate [(3aS,7R,7aS)-2,2-dimethyl-5-(phenylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-yl] methanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H21NO4
InChI	InChI=1S/C16H21NO4/c1-16(2)20-14-10-17(8-12-6-4-3-5-7-12)9-13(19-11-18)15(14)21-16/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey	QKWMPXZKAGHZSV-QLFBSQMISA-N
Molecular Weight	291.347 g/mol
SMILES	[C@]12([C@](OC(O2)(C)C)([C@](OC=O)(CN(C1)Cc1ccccc1)[H])[H])[H]
SPLASH	splash10-0006-9000000000-eee3e619dcf230b54a04
Source of Spectrum	KC-0-805-22
Wiley ID	785236