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MBDB-D5
SpectraBase Compound ID KYz0FdhjCTO
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3/i2D3,6D,10D
InChIKey USWVWJSAJAEEHQ-OERPMWGVSA-N
Mol Weight 212.3 g/mol
Molecular Formula C12H12D5NO2
Exact Mass 212.157313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEa8oQfYrE8
Name N-Methyl-1-(3,4-methylenedioxyphenyl)butan-2-amine-D5
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 212.157312519 u
Formula C12H12D5NO2
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3/i2D3,6D,10D
InChIKey USWVWJSAJAEEHQ-OERPMWGVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 212.304 g/mol
Nominal Mass 212 u
Quality 927
Retention Index 1854
SMILES C(C(C=1C=C2C(=CC1)OCO2)[D])(NC([D])([D])[D])(CC)[D]
SPLASH splash10-004i-9200000000-ab3be2c23af28d9c4476
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms MBDB-D5 1-(1,3-benzodioxol-5-yl)-N-(2H3)methyl(1,2-2H2)butan-2-amine
Technique GC/MS
Wiley ID DD2024_002841