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DEQUALINIUM

View entire compound with spectra: 1 MS (GC)

DEQUALINIUM
SpectraBase Compound ID 36ZVMBma4wX
InChI InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3
InChIKey PCSWXVJAIHCTMO-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H38N4
Exact Mass 454.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0qpoj5thXD
Name DEQUALINIUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H38N4
InChI InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3
InChIKey PCSWXVJAIHCTMO-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 454.662 g/mol
SMILES N=C1c2ccccc2N(CCCCCCCCCCN2C(=CC(=N)c3c2cccc3)C)C(=C1)C
SPLASH splash10-0a4i-3920000000-e634b8392995aa632a85
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany