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N-((-)-(1R)-Menthoxycarbonyl)-3,4-methylenedioxyamphetamine
SpectraBase Compound ID E55LJMB5s1w
InChI InChI=1S/C21H31NO4/c1-13(2)17-7-5-14(3)9-19(17)26-21(23)22-15(4)10-16-6-8-18-20(11-16)25-12-24-18/h6,8,11,13-15,17,19H,5,7,9-10,12H2,1-4H3,(H,22,23)/t14-,15+,17+,19-/m1/s1
InChIKey CCQDYGXIXZXHGB-WXSAJPJJSA-N
Mol Weight 361.48 g/mol
Molecular Formula C21H31NO4
Exact Mass 361.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnpGlXj1syu
Name N-((-)-(1R)-Menthoxycarbonyl)-3,4-methylenedioxyamphetamine
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 361.225308478 u
Formula C21H31NO4
InChI InChI=1S/C21H31NO4/c1-13(2)17-7-5-14(3)9-19(17)26-21(23)22-15(4)10-16-6-8-18-20(11-16)25-12-24-18/h6,8,11,13-15,17,19H,5,7,9-10,12H2,1-4H3,(H,22,23)/t14-,15+,17+,19-/m1/s1
InChIKey CCQDYGXIXZXHGB-WXSAJPJJSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 361.482 g/mol
Nominal Mass 361 u
Quality 958
Retention Index 2630
SMILES [C@]1([C@](OC(N[C@](CC=2C=C3C(=CC2)OCO3)(C)[H])=O)(C[C@@](CC1)(C)[H])[H])(C(C)C)[H]
SPLASH splash10-003i-8920000000-c65763bb3570f7ed2ef2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Amphetamine,N-((-)-(1R)-Menthoxycarbonyl)-3,4-methylenedioxy (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl ((2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl)\rcarbamate
Technique GC/MS
Wiley ID DD2024_007696