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7-Methyl-2-(methylsulfanyl)-3-(1-ethoxyethoxy)-4,5-dihydro-3H-azepine
SpectraBase Compound ID KqixbpiHzmL
InChI InChI=1S/C12H21NO2S/c1-5-14-10(3)15-11-8-6-7-9(2)13-12(11)16-4/h7,10-11H,5-6,8H2,1-4H3
InChIKey YKPWUZKPYCKXPU-UHFFFAOYSA-N
Mol Weight 243.36 g/mol
Molecular Formula C12H21NO2S
Exact Mass 243.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JemwB6bjV2p
Name 7-Methyl-2-(methylsulfanyl)-3-(1-ethoxyethoxy)-4,5-dihydro-3H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO2S
InChI InChI=1S/C12H21NO2S/c1-5-14-10(3)15-11-8-6-7-9(2)13-12(11)16-4/h7,10-11H,5-6,8H2,1-4H3
InChIKey YKPWUZKPYCKXPU-UHFFFAOYSA-N
Molecular Weight 243.365 g/mol
SMILES C1(=NC(=CCCC1OC(OCC)C)C)SC
SPLASH splash10-0fka-9400000000-357c32877cada2925dbc
Source of Spectrum O1-46-222-1
Synonyms 3-(1-Ethoxyethoxy)-7-methyl-2-methylsulfanyl-4,5-dihydro-3H-azepine
Wiley ID 1711396