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ML-289

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

ML-289
SpectraBase Compound ID 9OChrfkXmUo
InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
InChIKey VSLWUPHHCFQTDB-LJQANCHMSA-N
Mol Weight 349.43 g/mol
Molecular Formula C22H23NO3
Exact Mass 349.167794 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 4ZABgbay0uo
Name ML-289
Source of Sample Cayman Chemical Company
Catalog Number 15195
Lot Number 0453206-5
Accessory DurasamplIR II
CAS Registry Number 1382481-79-9
Classification negative allosteric modulator of mGlu3
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO3
InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
InChIKey VSLWUPHHCFQTDB-LJQANCHMSA-N
Instrument Name Bio-Rad FTS
Sample Description crystalline solid
Source of Spectrum Forensic Spectral Research
Synonyms [3R-(Hydroxymethyl)-1-piperidinyl][4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone
Technique ATR-Neat (DuraSamplIR II)