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1-Benzylthio-1-nitromethylcycloheptane
SpectraBase Compound ID C6bvJpkobY7
InChI InChI=1S/C15H21NO2S/c17-16(18)13-15(10-6-1-2-7-11-15)19-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
InChIKey OQLGNWUYNFDIBZ-UHFFFAOYSA-N
Mol Weight 279.4 g/mol
Molecular Formula C15H21NO2S
Exact Mass 279.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L24ku1eosDT
Name 1-Benzylthio-1-nitromethylcycloheptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2S
InChI InChI=1S/C15H21NO2S/c17-16(18)13-15(10-6-1-2-7-11-15)19-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
InChIKey OQLGNWUYNFDIBZ-UHFFFAOYSA-N
Molecular Weight 279.398 g/mol
SMILES C(N(=O)=O)C1(SCc2ccccc2)CCCCCC1
SPLASH splash10-0006-9230000000-093eeff1e53ec6401289
Source of Spectrum J-66-1989-8
Synonyms 1-(benzylsulfanyl)-1-(nitromethyl)cycloheptane benzyl 1-(nitromethyl)cycloheptyl sulfide
Wiley ID 1534771