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Di-tert-butyl 1-(1,3-benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrole-2,3-dicarboxylate
SpectraBase Compound ID 4jvlot2mkCw
InChI InChI=1S/C22H26N2O6S/c1-12(2)10-29-20(26)16-17(21(27)30-11-13(3)4)24(19(25)18(16)28-5)22-23-14-8-6-7-9-15(14)31-22/h6-9,12-13,17H,10-11H2,1-5H3
InChIKey QGMVFJMBZRRDKU-UHFFFAOYSA-N
Mol Weight 446.52 g/mol
Molecular Formula C22H26N2O6S
Exact Mass 446.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zC4vyDqcO0
Name Di-tert-butyl 1-(1,3-benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O6S
InChI InChI=1S/C22H26N2O6S/c1-12(2)10-29-20(26)16-17(21(27)30-11-13(3)4)24(19(25)18(16)28-5)22-23-14-8-6-7-9-15(14)31-22/h6-9,12-13,17H,10-11H2,1-5H3
InChIKey QGMVFJMBZRRDKU-UHFFFAOYSA-N
Molecular Weight 446.518 g/mol
SMILES c1(N2C(C(OC)=C(C2C(OCC(C)C)=O)C(OCC(C)C)=O)=O)nc2ccccc2s1
SPLASH splash10-0a4j-9720000000-31e9e75c51a4d152a66a
Source of Spectrum Y-51-1794-5d
Synonyms Diisobutyl 1-(benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Wiley ID 1741675