2-(p-methoxyphenyl)-2-{p-[2-(1-pyrrolidinyl)ethoxy]phenyl}acetophenone, citrate(1:1)(salt), hydrate

SpectraBase Compound ID	IRqNvfdv8NR
InChI	InChI=1S/C27H29NO3.C6H8O7.H2O/c1-30-24-13-9-21(10-14-24)26(27(29)23-7-3-2-4-8-23)22-11-15-25(16-12-22)31-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2-4,7-16,26H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChIKey	NGMCOVQGUKTWJX-UHFFFAOYSA-N Google Search
Mol Weight	625.671 g/mol
Molecular Formula	C33H39NO11
Exact Mass	625.252311 g/mol

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SpectraBase Spectrum ID	E0B0UtRZ0aJ
Name	2-(p-METHOXYPHENYL)-2-{p-[2-(1-PYRROLIDINYL)ETHOXY]PHENYL}ACETOPHENONE, CITRATE (1:1) (SALT), HYDRATE
Source of Sample	P. C. Ruenitz, the University of Georgia School of Pharmacy, Athens, Georgia
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H39NO11
InChI	InChI=1S/C27H29NO3.C6H8O7.H2O/c1-30-24-13-9-21(10-14-24)26(27(29)23-7-3-2-4-8-23)22-11-15-25(16-12-22)31-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2-4,7-16,26H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChIKey	NGMCOVQGUKTWJX-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 26, 1701(1983) Abstract-Chemical Abstracts= 99, 188016(1983)
Melting Point	84-88C
Molecular Weight	625.671021
Synonyms	ACETOPHENONE, 2-/P-METHOXYPHENYL/- 2-/P-/2-/1-PYRROLIDINYL/ETHOXY/- PHENYL/-, CITRATE /1 TO 1/ /SALT/, HYDRATE
Technique	KBr WAFER