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2-Chloro-1-(chloromethyl)ethyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate

View entire compound with spectra: 2 NMR

2-Chloro-1-(chloromethyl)ethyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
SpectraBase Compound ID IisJ1MVBvyQ
InChI InChI=1S/C15H16Cl2N2O4S/c1-22-9-2-3-11-12(6-9)24-15(18-11)19-13(20)4-5-14(21)23-10(7-16)8-17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,20)
InChIKey NRWPIHYTHMYCNI-UHFFFAOYSA-N
Mol Weight 391.27 g/mol
Molecular Formula C15H16Cl2N2O4S
Exact Mass 390.020784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yMqA3JdnA
Name 2-Chloro-1-(chloromethyl)ethyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.020783573 u
Formula C15H16Cl2N2O4S
InChI InChI=1S/C15H16Cl2N2O4S/c1-22-9-2-3-11-12(6-9)24-15(18-11)19-13(20)4-5-14(21)23-10(7-16)8-17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,20)
InChIKey NRWPIHYTHMYCNI-UHFFFAOYSA-N
Molecular Weight 391.269 g/mol
SMILES N(C1=NC=2C=CC(=CC2S1)OC)C(=O)CCC(OC(CCl)CCl)=O