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(E,Z)-4-[(diethylamino)(diethylcarbamoyl)methylene]-1-methyl-4H-benzothiazolo[3,2-a]pyrimidinium-2-olate-
SpectraBase Compound ID JpMlDBwlbc5
InChI InChI=1S/C21H28N4O2S/c1-6-23(7-2)19(20(27)24(8-3)9-4)16-14-18(26)22(5)21-25(16)15-12-10-11-13-17(15)28-21/h10-14H,6-9H2,1-5H3
InChIKey UODYKGLZDLJDHH-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C21H28N4O2S
Exact Mass 400.193297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ggoH8UNldZ
Name (E,Z)-4-[(diethylamino)(diethylcarbamoyl)methylene]-1-methyl-4H-benzothiazolo[3,2-a]pyrimidinium-2-olate-
CAS Registry Number 97684-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N4O2S
InChI InChI=1S/C21H28N4O2S/c1-6-23(7-2)19(20(27)24(8-3)9-4)16-14-18(26)22(5)21-25(16)15-12-10-11-13-17(15)28-21/h10-14H,6-9H2,1-5H3
InChIKey UODYKGLZDLJDHH-UHFFFAOYSA-N
Molecular Weight 400.541 g/mol
SMILES C12=[N+](C([O-])=C\C(N2c2ccccc2S1)=C\(C(N(CC)CC)=O)N(CC)CC)C
SPLASH splash10-000i-9210000000-21ac573af5444aa7f603
Source of Spectrum K-118-2091-7
Synonyms (4E)-4-[1,2-bis(diethylamino)-2-oxoethylidene]-1-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2-olate
Wiley ID 1369368