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2-(Thiophen-2-ylmethyl)-1H-pyrrolo[3,4-b]quinoline-1,3(2H)-dione
SpectraBase Compound ID 8LX4Iretlce
InChI InChI=1S/C16H10N2O2S/c19-15-12-8-10-4-1-2-6-13(10)17-14(12)16(20)18(15)9-11-5-3-7-21-11/h1-8H,9H2
InChIKey OBQJFLIZWVWBSG-UHFFFAOYSA-N
Mol Weight 294.33 g/mol
Molecular Formula C16H10N2O2S
Exact Mass 294.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QLfIa1Joyx
Name 2-(Thiophen-2-ylmethyl)-1H-pyrrolo[3,4-b]quinoline-1,3(2H)-dione
Appearance Orange solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N2O2S
GC Oven Program Oven temp 320oC
InChI InChI=1S/C16H10N2O2S/c19-15-12-8-10-4-1-2-6-13(10)17-14(12)16(20)18(15)9-11-5-3-7-21-11/h1-8H,9H2
InChIKey OBQJFLIZWVWBSG-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201374
Molecular Weight 294.328 g/mol
Quality 234
Reported Formula C16H10N2O2S
SMILES C=1(SC=CC1)CN1C(C2=NC3=C(C=C2C1=O)C=CC=C3)=O
SPLASH splash10-002f-1490000000-55e63e31bcaa830b4e77
Source of Spectrum K1-26-SM11-3p (DOI: 10.1002/ejoc.202201374)
Thin-Layer Chromatography 0.45 (n-Hexan/EtOAc/CHCl3, 80:10:10 )
Wiley ID 1910413