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Benzoic acid, 2-nitro-6-[[3-oxo-3-(2-thienyl)propyl]amino]-, ethyl ester
SpectraBase Compound ID 1CUcQClIM5b
InChI InChI=1S/C16H16N2O5S/c1-2-23-16(20)15-11(5-3-6-12(15)18(21)22)17-9-8-13(19)14-7-4-10-24-14/h3-7,10,17H,2,8-9H2,1H3
InChIKey XZVCGEPBBFGPDT-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HZ0YJKP0Tw
Name Benzoic acid, 2-nitro-6-[[3-oxo-3-(2-thienyl)propyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-2-23-16(20)15-11(5-3-6-12(15)18(21)22)17-9-8-13(19)14-7-4-10-24-14/h3-7,10,17H,2,8-9H2,1H3
InChIKey XZVCGEPBBFGPDT-UHFFFAOYSA-N
Molecular Weight 348.373 g/mol
SMILES N(c1cccc(c1C(OCC)=O)N(=O)=O)CCC(=O)c1cccs1
SPLASH splash10-0h00-3920000000-fdd21674d3938cd0cce1
Source of Spectrum IY-2-5201-3
Synonyms Ethyl 2-nitro-6-{[3-oxo-3-(thiophen-2-yl)propyl]amino}benzoate
Wiley ID 1659996