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1-METHYL-2-PHENYL-1H-1,5-BENZODIAZEPINE-4-THIOL, ACETATE (ESTER)
SpectraBase Compound ID LT72YabynZQ
InChI InChI=1S/C18H16N2OS/c1-13(21)22-18-12-17(14-8-4-3-5-9-14)20(2)16-11-7-6-10-15(16)19-18/h3-12H,1-2H3
InChIKey JLAGAJWJHKNRKD-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C18H16N2OS
Exact Mass 308.098334 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9qbYg51AmOL
Name 1-METHYL-2-PHENYL-1H-1,5-BENZODIAZEPINE-4-THIOL, ACETATE (ESTER)
Source of Sample D. Nardi, Recordati S.p.A., Milan, Italy
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2OS
InChI InChI=1S/C18H16N2OS/c1-13(21)22-18-12-17(14-8-4-3-5-9-14)20(2)16-11-7-6-10-15(16)19-18/h3-12H,1-2H3
InChIKey JLAGAJWJHKNRKD-UHFFFAOYSA-N
Literature Reference J. HETEROCYCLIC CHEM. 12, 825(1975)
Melting Point 166-169C
Molecular Weight 308.398987
Synonyms BENZODIAZEPINE-4-THIOL, 1H-1,5-, 1-METHYL-2-PHENYL-, ACETATE /ESTER/
Technique FILM (CAST FROM CHCl3)