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2-Phenyl-5-phenylthio-1-nitropentane
SpectraBase Compound ID EsNOLsMRBED
InChI InChI=1S/C17H19NO2S/c19-18(20)14-16(15-8-3-1-4-9-15)10-7-13-21-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKey HQVXERWSPXBXGK-UHFFFAOYSA-N
Mol Weight 301.4 g/mol
Molecular Formula C17H19NO2S
Exact Mass 301.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPGIkEmHbaW
Name 2-Phenyl-5-phenylthio-1-nitropentane
Alternate Name(s) 5-Nitro-4-phenylpentyl phenyl sulfide [1-(nitromethyl)-4-(phenylsulfanyl)butyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2S
InChI InChI=1S/C17H19NO2S/c19-18(20)14-16(15-8-3-1-4-9-15)10-7-13-21-17-11-5-2-6-12-17/h1-6,8-9,11-12,16H,7,10,13-14H2
InChIKey HQVXERWSPXBXGK-UHFFFAOYSA-N
Molecular Weight 301.404 g/mol
SMILES C(N(=O)=O)C(c1ccccc1)CCCSc1ccccc1
SPLASH splash10-0002-4900000000-6c7b2ea30a1878c76224
Source of Spectrum F-48-2039-24
Wiley ID 1303828