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2-Phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl methanesulfonate
SpectraBase Compound ID 8dkkKariGCo
InChI InChI=1S/C17H19NO3S/c1-22(19,20)21-16-10-6-5-9-14-11-12-15(18-17(14)16)13-7-3-2-4-8-13/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3
InChIKey COFOXPNYIFCHHN-UHFFFAOYSA-N
Mol Weight 317.4 g/mol
Molecular Formula C17H19NO3S
Exact Mass 317.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaEoOiHZ7xV
Name 2-Phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO3S
InChI InChI=1S/C17H19NO3S/c1-22(19,20)21-16-10-6-5-9-14-11-12-15(18-17(14)16)13-7-3-2-4-8-13/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3
InChIKey COFOXPNYIFCHHN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201301251
Molecular Weight 317.403 g/mol
SMILES c1(nc2c(cc1)CCCCC2OS(=O)(=O)C)-c1ccccc1
SPLASH splash10-00di-0390000000-709fae7180cf598be581
Source of Spectrum ACI-52-SM7-A
Wiley ID 1781286