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9-Methyl-1-Phenyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
SpectraBase Compound ID BznhvRcfR8r
InChI InChI=1S/C17H15N3OS/c1-12-7-8-15-14(11-12)20-16(9-10-21-15)18-17(22)19(20)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKey VTMPILWKVAIQCX-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 JkQRsffDT9X
Name 9-Methyl-1-Phenyl-1,2,4,5-tetrahydro-[1,2,4]triazolo[3,2-d]-[1,5]benzoxazepin-2-thione
Alternate Name(s) 9-Methyl-1-phenyl-4,5-dihydrobenzo[b][1,2,4]triazolo[1,5-d][1,4]oxazepine-2(1H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3OS
InChI InChI=1S/C17H15N3OS/c1-12-7-8-15-14(11-12)20-16(9-10-21-15)18-17(22)19(20)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKey VTMPILWKVAIQCX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20040220316
Molecular Weight 309.387 g/mol
SMILES C1Oc2c(N3C(C1)=NC(N3c1ccccc1)=S)cc(cc2)C
SPLASH splash10-08i0-9608000000-f7f28cf67920f5f557fe
Source of Spectrum CJC-22-294-7b
Wiley ID 1773930