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6-Azabicyclo[3.2.1]octane-6-carboxylic acid, 3-cyano-4-oxo-, phenylmethyl ester
SpectraBase Compound ID KUWNIYjuScf
InChI InChI=1S/C16H16N2O3/c17-8-13-6-12-7-14(15(13)19)18(9-12)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-14H,6-7,9-10H2
InChIKey RSFDTASCRSKOGO-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C16H16N2O3
Exact Mass 284.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HelwzS1owD7
Name 6-Azabicyclo[3.2.1]octane-6-carboxylic acid, 3-cyano-4-oxo-, phenylmethyl ester
Alternate Name(s) 6-(benzyloxycarbonyl)-3-cyano-4-keto-6-azabicyclo[3.2.1]octane benzyl 3-cyano-4-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CAS Registry Number 115545-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O3
InChI InChI=1S/C16H16N2O3/c17-8-13-6-12-7-14(15(13)19)18(9-12)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-14H,6-7,9-10H2
InChIKey RSFDTASCRSKOGO-UHFFFAOYSA-N
Molecular Weight 284.315 g/mol
SMILES C12N(CC(CC(C2=O)C#N)C1)C(OCc1ccccc1)=O
SPLASH splash10-052f-9440000000-a41959806bdcb4bcf395
Source of Spectrum J-54-113-4
Wiley ID 1287918