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(R,S)-1-Bromo-1-[4',5'-(methylendioxy)-2'-nitrophenyl]ethane
SpectraBase Compound ID 50y7U0B020D
InChI InChI=1S/C9H8BrNO4/c1-5(10)6-2-8-9(15-4-14-8)3-7(6)11(12)13/h2-3,5H,4H2,1H3
InChIKey JSESGFWDNDACQB-UHFFFAOYSA-N
Mol Weight 274.07 g/mol
Molecular Formula C9H8BrNO4
Exact Mass 272.963671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPsSCoLJbkw
Name (R,S)-1-Bromo-1-[4',5'-(methylendioxy)-2'-nitrophenyl]ethane
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8BrNO4
InChI InChI=1S/C9H8BrNO4/c1-5(10)6-2-8-9(15-4-14-8)3-7(6)11(12)13/h2-3,5H,4H2,1H3
InChIKey JSESGFWDNDACQB-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cbic.202200115
Molecular Weight 274.070 g/mol
SMILES c12OCOc2cc(c(c1)[N+]([O-])=O)C(Br)C
SPLASH splash10-01re-1900000000-2631b4d755b86797368f
Source of Spectrum CBC-23-SM3-5
Wiley ID 1871724