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9-Methoxy-1-Phenyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
SpectraBase Compound ID 5e4KwCglzxw
InChI InChI=1S/C17H15N3O2S/c1-21-13-7-8-15-14(11-13)20-16(9-10-22-15)18-17(23)19(20)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKey XPSSQBIFWLHZJJ-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C17H15N3O2S
Exact Mass 325.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0JFHR65l4L
Name 9-Methoxy-1-Phenyl-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 C17H15N3O2S
InChI InChI=1S/C17H15N3O2S/c1-21-13-7-8-15-14(11-13)20-16(9-10-22-15)18-17(23)19(20)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKey XPSSQBIFWLHZJJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20040220316
Molecular Weight 325.386 g/mol
SMILES C1Oc2c(N3C(C1)=NC(N3c1ccccc1)=S)cc(cc2)OC
SPLASH splash10-004i-0904000000-fafa922baa4b4c4d8c14
Source of Spectrum CJC-22-294-7c
Synonyms 9-Methoxy-1-phenyl-4,5-dihydrobenzo[b][1,2,4]triazolo[1,5-d][1,4]oxazepine-2(1H)-thione
Wiley ID 1773931