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3,4,5,7,8,9,10,10a-octahydro-a-phenyl-1H-pyrido[2,1-c][1,4]oxazepine-4-methanol, benzoate(ester)
SpectraBase Compound ID U63iJQd277
InChI InChI=1S/C23H27NO3/c25-23(19-11-5-2-6-12-19)27-22(18-9-3-1-4-10-18)20-15-24-14-8-7-13-21(24)17-26-16-20/h1-6,9-12,20-22H,7-8,13-17H2
InChIKey IWAKOJNNEIRARG-UHFFFAOYSA-N
Mol Weight 365.47 g/mol
Molecular Formula C23H27NO3
Exact Mass 365.199094 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KwfqRTKDgP5
Name 3,4,5,7,8,9,10,10a-OCTAHYDRO-alpha-PHENYL-1H-PYRIDO[2,1-c][1,4]OXAZEPINE-4-METHANOL, BENZOATE (ESTER)
Source of Sample H. Ulbrich, Schering AG, Berlin, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO3
InChI InChI=1S/C23H27NO3/c25-23(19-11-5-2-6-12-19)27-22(18-9-3-1-4-10-18)20-15-24-14-8-7-13-21(24)17-26-16-20/h1-6,9-12,20-22H,7-8,13-17H2
InChIKey IWAKOJNNEIRARG-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM.-CHIM. THER. 11, 343(1976)
Melting Point 123-125C
Molecular Weight 365.472992
Synonyms 1H-PYRIDO/2,1-C//1,4/OXAZEPINE- 4-METHANOL, 3,4,5,7,8,9,10,10A-OCTA- HYDRO-A-PHENYL-, BENZOATE /ESTER/
Technique KBr WAFER