Debug Info

object
{15}
_id
:
DlPFALKf9AO
spectrumID
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DlPFALKf9AO
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WDD1X:21089:1
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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false
spectralOutlier
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compound
{10}
lastUpdated
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1735074081058
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false

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3-MT-4-MA N,N-bis(3-fluorobenzyl)
SpectraBase Compound ID L5t1IxqaHG5
InChI InChI=1S/C25H27F2NOS/c1-18(12-19-10-11-24(29-2)25(15-19)30-3)28(16-20-6-4-8-22(26)13-20)17-21-7-5-9-23(27)14-21/h4-11,13-15,18H,12,16-17H2,1-3H3
InChIKey VABNVEGYKFSEII-UHFFFAOYSA-N
Mol Weight 427.55 g/mol
Molecular Formula C25H27F2NOS
Exact Mass 427.178142 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlPFALKf9AO
Name 3-MT-4-MA N,N-bis(3-fluorobenzyl)
Classification Amphetamine designer drug, stimulant, hallucinogenic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 427.178141992 u
Formula C25H27F2NOS
InChI InChI=1S/C25H27F2NOS/c1-18(12-19-10-11-24(29-2)25(15-19)30-3)28(16-20-6-4-8-22(26)13-20)17-21-7-5-9-23(27)14-21/h4-11,13-15,18H,12,16-17H2,1-3H3
InChIKey VABNVEGYKFSEII-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 427.554 g/mol
Nominal Mass 427 u
Quality 949
Retention Index 3013
SMILES C(N(CC=1C=C(C=CC1)F)CC=1C=C(C=CC1)F)(CC1=CC(=C(C=C1)OC)SC)C
SPLASH splash10-0bt9-2960000000-6a42f8e5a48f02e50e76
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-fluorobenzyl)-4-methoxy-3-methylthioamphetamine N,N-Bis(3-fluorobenzyl)-1-[4-methoxy-3-methylthiophenyl]-2-amine
Technique GC/MS
Wiley ID DD2024_021089
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