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2-Butylimino-3-(2-carboxyethyl)benzothiazoline
SpectraBase Compound ID q5s92df5m0
InChI InChI=1S/C14H18N2O2S/c1-2-3-9-15-14-16(10-8-13(17)18)11-6-4-5-7-12(11)19-14/h4-7H,2-3,8-10H2,1H3,(H,17,18)/b15-14-
InChIKey BJSUTVYQTZAPIG-PFONDFGASA-N
Mol Weight 278.37 g/mol
Molecular Formula C14H18N2O2S
Exact Mass 278.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1HWGRA9TSi
Name 2-Butylimino-3-(2-carboxyethyl)benzothiazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O2S
InChI InChI=1S/C14H18N2O2S/c1-2-3-9-15-14-16(10-8-13(17)18)11-6-4-5-7-12(11)19-14/h4-7H,2-3,8-10H2,1H3,(H,17,18)/b15-14-
InChIKey BJSUTVYQTZAPIG-PFONDFGASA-N
Molecular Weight 278.370 g/mol
SMILES OC(CCN1\C(Sc2ccccc12)=N\CCCC)=O
SPLASH splash10-0bt9-0690000000-cc19bf117d66f8f52057
Source of Spectrum HC-22-796-0
Synonyms 3-((2Z)-2-[(Z)-butylimino]-1,3-benzothiazol-3(2H)-yl)propanoic acid
Wiley ID 1281775