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Methyl 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoate
SpectraBase Compound ID 96JHl3DLiN1
InChI InChI=1S/C12H14N2O2S/c1-14(8-7-11(15)16-2)12-13-9-5-3-4-6-10(9)17-12/h3-6H,7-8H2,1-2H3
InChIKey KYLBYKYLHNHIFC-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQSVPlX4H3E
Name Methyl 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoate
CAS Registry Number 68720-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-14(8-7-11(15)16-2)12-13-9-5-3-4-6-10(9)17-12/h3-6H,7-8H2,1-2H3
InChIKey KYLBYKYLHNHIFC-UHFFFAOYSA-N
Molecular Weight 250.316 g/mol
SMILES CN(CCC(=O)OC)c1nc2ccccc2s1
SPLASH splash10-0h09-1920000000-f8f1bfbb1df7d0605a48
Source of Spectrum W5-1989-9241-1
Synonyms 2-(Methyl(2-carbomethoxyethyl)amino)benzothiazole 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoic acid methyl ester 3-[1,3-benzothiazol-2-yl(methyl)amino]propionic acid methyl ester
Wiley ID 1252944