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2-(N-propylimino)-3-carboxyethyl-benzothiazoline

View entire compound with spectra: 1 MS (GC)

2-(N-propylimino)-3-carboxyethyl-benzothiazoline
SpectraBase Compound ID GVQmvwZFLNV
InChI InChI=1S/C13H16N2O2S/c1-2-8-14-13-15(9-7-12(16)17)10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/b14-13+
InChIKey OMPBXAGYSHGTOL-BUHFOSPRSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Qw41oXvNCw
Name 2-(N-propylimino)-3-carboxyethyl-benzothiazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c1-2-8-14-13-15(9-7-12(16)17)10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/b14-13+
InChIKey OMPBXAGYSHGTOL-BUHFOSPRSA-N
Molecular Weight 264.343 g/mol
SMILES OC(CCN1\C(Sc2ccccc12)=N/CCC)=O
SPLASH splash10-03di-0910000000-6b76d5549016b425c367
Source of Spectrum HC-22-796-0
Wiley ID 1267666