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1-(4-ChloroPhenyl)-7methyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
SpectraBase Compound ID 78bbpb7ruX2
InChI InChI=1S/C17H14ClN3OS/c1-11-3-2-4-14-16(11)22-10-9-15-19-17(23)20(21(14)15)13-7-5-12(18)6-8-13/h2-8H,9-10H2,1H3
InChIKey OTTBFZGGGNOTPU-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C17H14ClN3OS
Exact Mass 343.054611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IILKwsLypGh
Name 1-(4-ChloroPhenyl)-7methyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClN3OS
InChI InChI=1S/C17H14ClN3OS/c1-11-3-2-4-14-16(11)22-10-9-15-19-17(23)20(21(14)15)13-7-5-12(18)6-8-13/h2-8H,9-10H2,1H3
InChIKey OTTBFZGGGNOTPU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20040220316
Molecular Weight 343.832 g/mol
SMILES C1Oc2c(N3C(C1)=NC(N3c1ccc(cc1)Cl)=S)cccc2C
SPLASH splash10-01ox-1609000000-ae3520ede34b664d167c
Source of Spectrum CJC-22-295-7g
Synonyms 1-(4-Chlorophenyl)-7-methyl-4,5-dihydrobenzo[b][1,2,4]triazolo[1,5-d][1,4]oxazepine-2(1H)-thione
Wiley ID 1773935