5-[E-1-Nitropropen-2-yl]-2,3-dimethylindole

SpectraBase Compound ID	qbsH8WqIvX
InChI	InChI=1S/C13H14N2O2/c1-8(15(16)17)6-11-4-5-13-12(7-11)9(2)10(3)14-13/h4-7,14H,1-3H3/b8-6+
InChIKey	XAPQEMAYUFLVPZ-SOFGYWHQSA-N Google Search
Mol Weight	230.27 g/mol
Molecular Formula	C13H14N2O2
Exact Mass	230.105528 g/mol

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SpectraBase Spectrum ID	Iq8X03qOCR9
Name	5-[E-1-Nitropropen-2-yl]-2,3-dimethylindole
CAS Registry Number	70447-60-8
Comments	Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718209
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H14N2O2
InChI	InChI=1S/C13H14N2O2/c1-8(15(16)17)6-11-4-5-13-12(7-11)9(2)10(3)14-13/h4-7,14H,1-3H3/b8-6+
InChIKey	XAPQEMAYUFLVPZ-SOFGYWHQSA-N
Molecular Weight	230.267 g/mol
SMILES	[nH]1c(c(c2cc(ccc12)\C=C/(N(=O)=O)C)C)C
SPLASH	splash10-001j-9310000000-5f896bfcfd85dc570fd5
Source of Spectrum	SS-3-66-0
Synonyms	2,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-1H-indole 5-(e-2-nitropropenyl)-2,3-dimethylindole
Wiley ID	1231796