For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

trans-2,2-dimethyl-3-hydroxy-4-(1-pyrrolidinyl)-6-chromancarbonitrile, hydrochloride

View entire compound with spectra: 1 NMR, and 1 FTIR

trans-2,2-dimethyl-3-hydroxy-4-(1-pyrrolidinyl)-6-chromancarbonitrile, hydrochloride
SpectraBase Compound ID 1guacFxHqBa
InChI InChI=1S/C16H20N2O2.ClH/c1-16(2)15(19)14(18-7-3-4-8-18)12-9-11(10-17)5-6-13(12)20-16;/h5-6,9,14-15,19H,3-4,7-8H2,1-2H3;1H/t14-,15+;/s2
InChIKey BXLIWAMHQABEHN-AJYMSAGVSA-N
Mol Weight 308.81 g/mol
Molecular Formula C16H21ClN2O2
Exact Mass 308.129156 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Db962L9kKX4
Name trans-2,2-DIMETHYL-3-HYDROXY-4-(1-PYRROLIDINYL)-6-CHROMANCARBONITRILE, HYDROCHLORIDE
Source of Sample J. M. Evans, Beecham Pharmaceuticals, Harlow, Essex, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClN2O2
InChI InChI=1S/C16H20N2O2.ClH/c1-16(2)15(19)14(18-7-3-4-8-18)12-9-11(10-17)5-6-13(12)20-16;/h5-6,9,14-15,19H,3-4,7-8H2,1-2H3;1H/t14-,15+;/s2
InChIKey BXLIWAMHQABEHN-AJYMSAGVSA-N
Literature Reference J. MED. CHEM. 26, 1582(1983) Abstract-Chemical Abstracts= 101, 90726(1984)
Melting Point 201-203C
Molecular Weight 308.806000
Synonyms 6-CHROMANCARBONITRILE, 2,2-DIMETHYL- 3-HYDROXY-4-/1-PYRROLIDINYL/-, HYDRO- CHLORIDE, TRANS-,
Technique KBr WAFER