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1-[(E)-2-(2-Sec-butylsulfanyl-phenyl)-2-nitro-vinyl]-pyrrolidine
SpectraBase Compound ID 70aI7xCzQd
InChI InChI=1S/C16H22N2O2S/c1-3-13(2)21-16-9-5-4-8-14(16)15(18(19)20)12-17-10-6-7-11-17/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/b15-12+
InChIKey ACGUETVWSZGJIJ-NTCAYCPXSA-N
Mol Weight 306.42 g/mol
Molecular Formula C16H22N2O2S
Exact Mass 306.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADwX2DJyhof
Name 1-[(E)-2-(2-Sec-butylsulfanyl-phenyl)-2-nitro-vinyl]-pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O2S
InChI InChI=1S/C16H22N2O2S/c1-3-13(2)21-16-9-5-4-8-14(16)15(18(19)20)12-17-10-6-7-11-17/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/b15-12+
InChIKey ACGUETVWSZGJIJ-NTCAYCPXSA-N
Molecular Weight 306.424 g/mol
SMILES c1(\C(N(=O)=O)=C/N2CCCC2)c(SC(CC)C)cccc1
SPLASH splash10-000i-0920000000-5d5185f979e171d90356
Source of Spectrum F-62-8790-4
Synonyms (1E,3Z)-sec-Butylthio-2-nitro-1-pyrrolodino-1,3-butadiene 1-{(E)-2-[2-(sec-butylsulfanyl)phenyl]-2-nitroethenyl}pyrrolidine sec-butyl 2-[(E)-1-nitro-2-(1-pyrrolidinyl)ethenyl]phenyl sulfide
Wiley ID 1640598