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3,5-dihydro-4-(beta-hydroxy-alpha-methylphenethyl)-4-methyl-4H-dinaphth[2,1-c.1',2'-e]azepinium bromide(isomer)
SpectraBase Compound ID ADY1AEo8FaA
InChI InChI=1S/C32H30NO.BrH/c1-22(32(34)25-12-4-3-5-13-25)33(2)20-26-18-16-23-10-6-8-14-28(23)30(26)31-27(21-33)19-17-24-11-7-9-15-29(24)31;/h3-19,22,32,34H,20-21H2,1-2H3;1H/q+1;/p-1/t22-,32-;/m0./s1
InChIKey DCUCPDOXZUNJSL-NNHAGDAQSA-M
Mol Weight 524.502 g/mol
Molecular Formula C32H30BrNO
Exact Mass 523.151078 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AFV9QuaDi3V
Name 3,5-DIHYDRO-4-(beta-HYDROXY-alpha-METHYLPHENETHYL)-4-METHYL-4H-DINAPHTH[2,1-c:1',2'-e]AZEPINIUM BROMIDE (ISOMER)
Source of Sample J. P. Mazaleyrat, National Center of Scientific Research, Thiais, France
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30BrNO
InChI InChI=1S/C32H30NO.BrH/c1-22(32(34)25-12-4-3-5-13-25)33(2)20-26-18-16-23-10-6-8-14-28(23)30(26)31-27(21-33)19-17-24-11-7-9-15-29(24)31;/h3-19,22,32,34H,20-21H2,1-2H3;1H/q+1;/p-1/t22-,32-;/m0./s1
InChIKey DCUCPDOXZUNJSL-NNHAGDAQSA-M
Literature Reference TETRAHEDRON LETT. 24, 1243(1983) Abstract-Chemical Abstracts= 99, 70547(1983)
Melting Point 225-230C
Molecular Weight 524.507996
Optical Properties Optical Rotation= (20C) -201 DEG (c=0.6, PYRIDINE)
Synonyms 4H-DINAPHTH/2,1-C:1*,2*-E/AZEPINIUM BROMIDE, 3,5-DIHYDRO-4-/B-HYDROXY- A-METHYLPHENETHYL/-4-METHYL-, /ISOMER M.P.227/
Technique KBr WAFER