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6a'-Methyl-2'-(4-nitrophenyl)-4',5',6',6a'-tetrahydro-3a'H-spiro[cyclohexa[2,5]diene-1,3-cyclopenta[b]pyrrol]-4-one
SpectraBase Compound ID JVRqrOejreu
InChI InChI=1S/C19H18N2O3/c1-18-10-2-3-16(18)19(11-8-15(22)9-12-19)17(20-18)13-4-6-14(7-5-13)21(23)24/h4-9,11-12,16H,2-3,10H2,1H3
InChIKey MOYJCZVEVUITHF-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XeTrBdYci
Name 6a'-Methyl-2'-(4-nitrophenyl)-4',5',6',6a'-tetrahydro-3a'H-spiro[cyclohexa[2,5]diene-1,3-cyclopenta[b]pyrrol]-4-one
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c1-18-10-2-3-16(18)19(11-8-15(22)9-12-19)17(20-18)13-4-6-14(7-5-13)21(23)24/h4-9,11-12,16H,2-3,10H2,1H3
InChIKey MOYJCZVEVUITHF-UHFFFAOYSA-N
Instrument Name Agilent Technology 6890N/5975B
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3551
Molecular Weight 322.364 g/mol
SMILES C=1C(=O)C=CC2(C3C(N=C2c2ccc(cc2)[N+]([O-])=O)(CCC3)C)C1
SPLASH splash10-00di-1900000000-5352d3ecfc05c3e8f806
Source of Spectrum Y-56-1642-9d
Wiley ID 1859567