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Methyl 3-[((2Z)-3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]propanoate
SpectraBase Compound ID JpCi9rQVwrr
InChI InChI=1S/C12H14N2O2S/c1-14-9-5-3-4-6-10(9)17-12(14)13-8-7-11(15)16-2/h3-6H,7-8H2,1-2H3/b13-12-
InChIKey ITCYVDYHAXCQEQ-SEYXRHQNSA-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 ImgGZHlGzKz
Name Methyl 3-[((2Z)-3-methyl-1,3-benzothiazol-2(3H)-ylidene)amino]propanoate
Alternate Name(s) 2-(2-Carbomethoxyethylimino)-3-methylbenzothiazoline
CAS Registry Number 68720-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-14-9-5-3-4-6-10(9)17-12(14)13-8-7-11(15)16-2/h3-6H,7-8H2,1-2H3/b13-12-
InChIKey ITCYVDYHAXCQEQ-SEYXRHQNSA-N
Molecular Weight 250.316 g/mol
SMILES COC(=O)CC\N=C/1Sc2ccccc2N1C
SPLASH splash10-004i-0900000000-dcbae45c59c90c5228db
Source of Spectrum W5-1989-9244-1
Wiley ID 1252942