Debug Info

object
{15}
_id
:
2pb3ItTij32
spectrumID
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2pb3ItTij32
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WDD1X:21507:1
hasStructureAssignments
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false
properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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mal N,N-bis(3-Methoxybenzyl)
SpectraBase Compound ID CqAJabK5ZPH
InChI InChI=1S/C30H37NO5/c1-22(2)21-36-30-28(34-5)17-23(18-29(30)35-6)13-14-31(19-24-9-7-11-26(15-24)32-3)20-25-10-8-12-27(16-25)33-4/h7-12,15-18H,1,13-14,19-21H2,2-6H3
InChIKey JAJHVOFHZGXOEM-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C30H37NO5
Exact Mass 491.267173 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pb3ItTij32
Name MAL N,N-bis(3-methoxybenzyl)
Classification Phenethylamine designer drug
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 491.267173290 u
Formula C30H37NO5
InChI InChI=1S/C30H37NO5/c1-22(2)21-36-30-28(34-5)17-23(18-29(30)35-6)13-14-31(19-24-9-7-11-26(15-24)32-3)20-25-10-8-12-27(16-25)33-4/h7-12,15-18H,1,13-14,19-21H2,2-6H3
InChIKey JAJHVOFHZGXOEM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 491.628 g/mol
Nominal Mass 491 u
Quality 980
Retention Index 3692
SMILES C1(=C(C=C(C=C1OC)CCN(CC=1C=C(C=CC1)OC)CC=1C=C(C=CC1)OC)OC)OCC(=C)C
SPLASH splash10-00di-1590000000-f79aba3eb1af875a9bb5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methallylescaline N,N-bis(3-methoxybenzyl) 2-(3,5-Dimethoxy-4-((2-methylprop-2-en-1-yl)-N,N-bis(3-methoxybenzyl)oxy)phenyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_021507
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