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Etodroxizine
SpectraBase Compound ID EL8VfzCKali
InChI InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
InChIKey VUFOCTSXHUWGPW-UHFFFAOYSA-N
Mol Weight 418.97 g/mol
Molecular Formula C23H31ClN2O3
Exact Mass 418.202321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hbuffp3mjY
Name Etodroxizine
CAS Registry Number 17692-34-1
Classification Pharmaceutical drug, tranquiliser
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 418.202320563 u
Formula C23H31ClN2O3
InChI InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
InChIKey VUFOCTSXHUWGPW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 418.965 g/mol
Nominal Mass 418 u
Quality 919
Retention Index 3175
SMILES OCCOCCOCCN1CCN(C(C2=CC=C(C=C2)Cl)C=2C=CC=CC2)CC1
SPLASH splash10-0udi-0390000000-3939dacefa3b25063690
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 8-[4-(4-Chloro-alpha-phenylbenzyl)-2-piperazinyl]-3,6-dioxaoctan-1-ol
Technique GC/MS
Wiley ID DD2024_001385