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6-(benzyloxycarbonyl)-3-cyano-4-chloro-6-azabicyclo[3.2.1]oct-3-ene
SpectraBase Compound ID 85m8gdvKs7q
InChI InChI=1S/C16H15ClN2O2/c17-15-13(8-18)6-12-7-14(15)19(9-12)16(20)21-10-11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2
InChIKey NUWWQTZCJPIJIJ-UHFFFAOYSA-N
Mol Weight 302.76 g/mol
Molecular Formula C16H15ClN2O2
Exact Mass 302.082205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86NmhYWHsJH
Name 6-(benzyloxycarbonyl)-3-cyano-4-chloro-6-azabicyclo[3.2.1]oct-3-ene
CAS Registry Number 117708-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN2O2
InChI InChI=1S/C16H15ClN2O2/c17-15-13(8-18)6-12-7-14(15)19(9-12)16(20)21-10-11-4-2-1-3-5-11/h1-5,12,14H,6-7,9-10H2
InChIKey NUWWQTZCJPIJIJ-UHFFFAOYSA-N
Molecular Weight 302.761 g/mol
SMILES C12N(CC(CC(=C2Cl)C#N)C1)C(OCc1ccccc1)=O
SPLASH splash10-0f6x-9601000000-9fb9cc5cf7a7655368c7
Source of Spectrum J-54-113-15
Synonyms benzyl 4-chloro-3-cyano-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
Wiley ID 1304533