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3,4,5-trimethoxybenzoic acid, 4-(phenethylamino)butyl ester, hydrochloride
SpectraBase Compound ID DaKCUd7TZRJ
InChI InChI=1S/C22H29NO5.ClH/c1-25-19-15-18(16-20(26-2)21(19)27-3)22(24)28-14-8-7-12-23-13-11-17-9-5-4-6-10-17;/h4-6,9-10,15-16,23H,7-8,11-14H2,1-3H3;1H
InChIKey CQPSZURPSTYUIB-UHFFFAOYSA-N
Mol Weight 423.94 g/mol
Molecular Formula C22H30ClNO5
Exact Mass 423.181251 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9VRco2KA0Pu
Name 3,4,5-TRIMETHOXYBENZOIC ACID, 4-(PHENETHYLAMINO)BUTYL ESTER, HYDROCHLORIDE
Source of Sample T. Kralt, N.V. Philips-Duphar, Weesp, the Netherlands
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30ClNO5
InChI InChI=1S/C22H29NO5.ClH/c1-25-19-15-18(16-20(26-2)21(19)27-3)22(24)28-14-8-7-12-23-13-11-17-9-5-4-6-10-17;/h4-6,9-10,15-16,23H,7-8,11-14H2,1-3H3;1H
InChIKey CQPSZURPSTYUIB-UHFFFAOYSA-N
Melting Point 135-136C
Molecular Weight 423.933990
Synonyms BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-/PHENETHYLAMINO/BUTYL ESTER, HYDROCHLORIDE
Technique KBr WAFER