2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester

SpectraBase Compound ID	KHaHeGJzUPw
InChI	InChI=1S/C22H24N2O6S/c1-3-28-22(27)17-13(2)18(21(26)24-9-5-4-6-10-24)31-20(17)23-19(25)14-7-8-15-16(11-14)30-12-29-15/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,23,25)
InChIKey	SSHYEJWESWPPCB-UHFFFAOYSA-N Google Search
Mol Weight	444.5 g/mol
Molecular Formula	C22H24N2O6S
Exact Mass	444.135508 g/mol

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SpectraBase Spectrum ID	Ak6jhIyWUIT
Name	3-thiophenecarboxylic acid, 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-methyl-5-(1-piperidinylcarbonyl)-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	444.135507669 u
Formula	C22H24N2O6S
InChI	InChI=1S/C22H24N2O6S/c1-3-28-22(27)17-13(2)18(21(26)24-9-5-4-6-10-24)31-20(17)23-19(25)14-7-8-15-16(11-14)30-12-29-15/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,23,25)
InChIKey	SSHYEJWESWPPCB-UHFFFAOYSA-N
Molecular Weight	444.502 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_10174
Solvent	DMSO-d6
Source	Vendor ID: NMR/10241346; Lab Info: SAS; Lab Number: SAS-tst3635
Temperature	23.85 °C