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Methixene HC l inkbr

View entire compound with spectra: 1 Raman

Methixene HC l inkbr
SpectraBase Compound ID DYZ6NRbrjRM
InChI InChI=1S/C20H23NS.ClH/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
InChIKey RSXZRFHNNTTWCB-UHFFFAOYSA-N
Mol Weight 345.93 g/mol
Molecular Formula C20H24ClNS
Exact Mass 345.131799 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5wYdp5EPfDa
Name Methixene HC l inkbr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.131798651 u
Formula C20H24ClNS
InChI InChI=1S/C20H23NS.ClH/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
InChIKey RSXZRFHNNTTWCB-UHFFFAOYSA-N
Molecular Weight 345.932 g/mol
SMILES C(C1C2=C(C=CC=C2)SC2=C1C=CC=C2)C1CN(CCC1)C.Cl
Spectrum/Structure Validation Score (Raman) 0.961188