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Metixene HCl
SpectraBase Compound ID GdbKwS5a6Ri
InChI InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2
InChIKey RAOHHYUBMJLHNC-UHFFFAOYSA-N
Mol Weight 363.95 g/mol
Molecular Formula C20H26ClNOS
Exact Mass 363.142363 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8UXKMnubm7a
Name Metixene HCl
Source of Sample Cayman Chemical Company
Catalog Number 39825
Lot Number 0692848-1
Accessory DurasamplIR II
CAS Registry Number 7081-40-5
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.142363334 u
Formula C20H26ClNOS
InChI InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2
InChIKey RAOHHYUBMJLHNC-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 363.947 g/mol
Purity ≥95%
Resolution 4
SMILES O.C1N(CCCC1CC1C=2C=CC=CC2SC=2C=CC=CC12)C.Cl
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-piperidine, monohydrochloride, monohydrate Methixine
Technique ATR-Neat