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2-Ethylimino-3-(2-carboxyethyl)benzothiazoline
SpectraBase Compound ID LnfeUjszcfh
InChI InChI=1S/C12H14N2O2S/c1-2-13-12-14(8-7-11(15)16)9-5-3-4-6-10(9)17-12/h3-6H,2,7-8H2,1H3,(H,15,16)/b13-12-
InChIKey JIIADJTYFFAWAL-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 5bnuYQYapnp
Name 2-Ethylimino-3-(2-carboxyethyl)benzothiazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S
InChI InChI=1S/C12H14N2O2S/c1-2-13-12-14(8-7-11(15)16)9-5-3-4-6-10(9)17-12/h3-6H,2,7-8H2,1H3,(H,15,16)/b13-12-
InChIKey JIIADJTYFFAWAL-SEYXRHQNSA-N
Molecular Weight 250.316 g/mol
SMILES OC(CCN1\C(Sc2ccccc12)=N\CC)=O
SPLASH splash10-0h09-0900000000-efef7d7ab920441c9a5e
Source of Spectrum HC-22-796-0
Synonyms 3-((2Z)-2-[(Z)-ethylimino]-1,3-benzothiazol-3(2H)-yl)propanoic acid
Wiley ID 1252947