For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 2-(5-acetyl-3-nitro-2-thienyl)-2-[(5-acetyl-3-nitro-2-thienyl)amino]propionate
SpectraBase Compound ID dyzBmHbOeL
InChI InChI=1S/C16H15N3O8S2/c1-7(20)11-5-9(18(23)24)13(28-11)16(3,15(22)27-4)17-14-10(19(25)26)6-12(29-14)8(2)21/h5-6,17H,1-4H3
InChIKey MQPKWDBQKNZTAS-UHFFFAOYSA-N
Mol Weight 441.43 g/mol
Molecular Formula C16H15N3O8S2
Exact Mass 441.030057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7qWfZpH5AFR
Name Methyl 2-(5-acetyl-3-nitro-2-thienyl)-2-[(5-acetyl-3-nitro-2-thienyl)amino]propionate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O8S2
InChI InChI=1S/C16H15N3O8S2/c1-7(20)11-5-9(18(23)24)13(28-11)16(3,15(22)27-4)17-14-10(19(25)26)6-12(29-14)8(2)21/h5-6,17H,1-4H3
InChIKey MQPKWDBQKNZTAS-UHFFFAOYSA-N
Molecular Weight 441.429 g/mol
SMILES N(C(C(=O)OC)(C)c1c(cc(s1)C(=O)C)N(=O)=O)c1c(cc(s1)C(=O)C)N(=O)=O
SPLASH splash10-001i-0009300000-69d6ccc819cb7d40c5ac
Source of Spectrum O1-57-102-4
Synonyms methyl 2-(5-acetyl-3-nitro-2-thienyl)-2-[(5-acetyl-3-nitro-2-thienyl)amino]propanoate
Wiley ID 1591425