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1-(Indol-3-yl)-2-nitrobut-1-ene
SpectraBase Compound ID 1LQYtlTaqZp
InChI InChI=1S/C12H12N2O2/c1-2-10(14(15)16)7-9-8-13-12-6-4-3-5-11(9)12/h3-8,13H,2H2,1H3/b10-7+
InChIKey MFTHIYPESIICAN-JXMROGBWSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWd9OzoVxOy
Name 1-(Indol-3-yl)-2-nitrobut-1-ene
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 216.089877632 u
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-2-10(14(15)16)7-9-8-13-12-6-4-3-5-11(9)12/h3-8,13H,2H2,1H3/b10-7+
InChIKey MFTHIYPESIICAN-JXMROGBWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 216.240 g/mol
Nominal Mass 216 u
Quality 984
Retention Index 2270
SMILES C=12C(=CNC2=CC=CC1)\C=C/([N+](=O)[O-])CC
SPLASH splash10-014i-2910000000-0d5a1076a94e77305a3b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(2-nitroprop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_008644