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Diethyl 5-[(coumarin-3-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID HiKaeSSLWc6
InChI InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)13-10-12-8-6-7-9-14(12)29-19(13)24/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKey LTMRFRRUGRYBPO-UHFFFAOYSA-N
Mol Weight 429.44 g/mol
Molecular Formula C21H19NO7S
Exact Mass 429.088223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XjJcSnUD7e
Name DIETHYL 5-[(COUMARIN-3-YLCARBONYL)AMINO]-3-METHYL-2,4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H19NO7S
InChI InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)13-10-12-8-6-7-9-14(12)29-19(13)24/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKey LTMRFRRUGRYBPO-UHFFFAOYSA-N
Molecular Weight 429.0877
SMILES N(C(C1=Cc2c(cccc2)OC1=O)=O)c1sc(C(OCC)=O)c(C)c1C(OCC)=O
SPLASH splash10-00di-6900000000-b3eeb6c38eb19f14371b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany