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2-(Phenylthio)-1,4,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepine
SpectraBase Compound ID 1miLvu9agQw
InChI InChI=1S/C16H21NS/c1-4-8-15(9-5-1)18-16-10-12-17-11-6-2-3-7-14(17)13-16/h1,4-5,8-9,13-14H,2-3,6-7,10-12H2
InChIKey ULPAFRCHSLXTRX-UHFFFAOYSA-N
Mol Weight 259.41 g/mol
Molecular Formula C16H21NS
Exact Mass 259.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V162CkQatm
Name 2-(Phenylthio)-1,4,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepine
Alternate Name(s) 2-(Phenylthio)-3,4,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NS
InChI InChI=1S/C16H21NS/c1-4-8-15(9-5-1)18-16-10-12-17-11-6-2-3-7-14(17)13-16/h1,4-5,8-9,13-14H,2-3,6-7,10-12H2
InChIKey ULPAFRCHSLXTRX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201000113
Molecular Weight 259.411 g/mol
SMILES C12N(CCCCC2)CCC(=C1)Sc1ccccc1
SPLASH splash10-1000-0790000000-0d344cf55cb196999280
Source of Spectrum QA-57-818-8b
Wiley ID 1791238