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3,4,5-trimethoxybenzoic acid, 4-(benzylphenethylamino)butyl ester, hydrochloride
SpectraBase Compound ID Ittd0TnNHFR
InChI InChI=1S/C29H35NO5.ClH/c1-32-26-20-25(21-27(33-2)28(26)34-3)29(31)35-19-11-10-17-30(22-24-14-8-5-9-15-24)18-16-23-12-6-4-7-13-23;/h4-9,12-15,20-21H,10-11,16-19,22H2,1-3H3;1H
InChIKey MBPSHFSBZTZGHQ-UHFFFAOYSA-N
Mol Weight 514.06 g/mol
Molecular Formula C29H36ClNO5
Exact Mass 513.228201 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Gn2iBrTvsnP
Name 3,4,5-TRIMETHOXYBENZOIC ACID, 4-(BENZYLPHENETHYLAMINO)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 C29H36ClNO5
InChI InChI=1S/C29H35NO5.ClH/c1-32-26-20-25(21-27(33-2)28(26)34-3)29(31)35-19-11-10-17-30(22-24-14-8-5-9-15-24)18-16-23-12-6-4-7-13-23;/h4-9,12-15,20-21H,10-11,16-19,22H2,1-3H3;1H
InChIKey MBPSHFSBZTZGHQ-UHFFFAOYSA-N
Melting Point 134-136C
Molecular Weight 514.059021
Synonyms BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-/BENZYLPHENETHYLAMINO/BUTYL ESTER, HYDROCHLORIDE
Technique KBr WAFER