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

*Links on SpectraBase are not permalinks.
4-(2-(7-(morpholinosulfonyl)-3-oxo-3,4-dihydroquinoxalin-2-yl)hydrazinyl)-4-oxobutanoic acid
SpectraBase Compound ID CAvutxLK7Mw
InChI InChI=1S/C16H19N5O7S/c22-13(3-4-14(23)24)19-20-15-16(25)18-11-2-1-10(9-12(11)17-15)29(26,27)21-5-7-28-8-6-21/h1-2,9H,3-8H2,(H,17,20)(H,18,25)(H,19,22)(H,23,24)
InChIKey TWSWMEUCCUFDRR-UHFFFAOYSA-N
Mol Weight 425.42 g/mol
Molecular Formula C16H19N5O7S
Exact Mass 425.100519 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 IPRTGa5SodN
Name 4-(2-(7-(morpholinosulfonyl)-3-oxo-3,4-dihydroquinoxalin-2-yl)hydrazinyl)-4-oxobutanoic acid
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.100519139 u
Formula C16H19N5O7S
InChI InChI=1S/C16H19N5O7S/c22-13(3-4-14(23)24)19-20-15-16(25)18-11-2-1-10(9-12(11)17-15)29(26,27)21-5-7-28-8-6-21/h1-2,9H,3-8H2,(H,17,20)(H,18,25)(H,19,22)(H,23,24)
InChIKey TWSWMEUCCUFDRR-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MSQP5050A
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2021.103497
Molecular Weight 425.416 g/mol
Quality 743
SMILES N1C(=NNC(CCC(O)=O)=O)C(NC2=C1C=C(C=C2)S(N1CCOCC1)(=O)=O)=O
SPLASH splash10-016r-2952100000-a001b2de61204898ed4f
Source of Spectrum AJC-15-SM41-13 (DOI: 10.1016/j.arabjc.2021.103497)
Wiley ID 1908010