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1-(2-Chlorobenzylamino)-1,2,4-triazolo[3,4-b]-1,3(4H)benzothiazepine

View entire compound with spectra: 1 MS (GC)

1-(2-Chlorobenzylamino)-1,2,4-triazolo[3,4-b]-1,3(4H)benzothiazepine
SpectraBase Compound ID DGmuQZM6CqJ
InChI InChI=1S/C16H15ClN4S/c17-13-7-3-1-5-11(13)9-18-15-19-20-16-21(15)10-12-6-2-4-8-14(12)22-16/h1-8,16,20H,9-10H2,(H,18,19)
InChIKey NCPTXEIBLYVLHZ-UHFFFAOYSA-N
Mol Weight 330.84 g/mol
Molecular Formula C16H15ClN4S
Exact Mass 330.070595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3EzdfZfIm0
Name 1-(2-Chlorobenzylamino)-1,2,4-triazolo[3,4-b]-1,3(4H)benzothiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN4S
InChI InChI=1S/C16H15ClN4S/c17-13-7-3-1-5-11(13)9-18-15-19-20-16-21(15)10-12-6-2-4-8-14(12)22-16/h1-8,16,20H,9-10H2,(H,18,19)
InChIKey NCPTXEIBLYVLHZ-UHFFFAOYSA-N
Molecular Weight 330.837 g/mol
SMILES N1N=C(N2C1Sc1c(C2)cccc1)NCc1c(Cl)cccc1
SPLASH splash10-0006-3293000000-9a3a04e93a93acfab8ef
Source of Spectrum F4-0-3848-12
Wiley ID 1621053