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7-Methyl-1-Phenyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
SpectraBase Compound ID BawvtfHrnSC
InChI InChI=1S/C17H15N3OS/c1-12-6-5-9-14-16(12)21-11-10-15-18-17(22)19(20(14)15)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKey CLSNHUVSXDQPBB-UHFFFAOYSA-N
Mol Weight 309.39 g/mol
Molecular Formula C17H15N3OS
Exact Mass 309.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMaOCl7KHhQ
Name 7-Methyl-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 C17H15N3OS
InChI InChI=1S/C17H15N3OS/c1-12-6-5-9-14-16(12)21-11-10-15-18-17(22)19(20(14)15)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKey CLSNHUVSXDQPBB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20040220316
Molecular Weight 309.387 g/mol
SMILES C1Oc2c(N3C(C1)=NC(N3c1ccccc1)=S)cccc2C
SPLASH splash10-03di-3902000000-6034bb5ed1eeea21356c
Source of Spectrum CJC-22-294-7e
Synonyms 7-Methyl-1-phenyl-4,5-dihydrobenzo[b][1,2,4]triazolo[1,5-d][1,4]oxazepine-2(1H)-thione
Wiley ID 1773933