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LSZ Isomer III
SpectraBase Compound ID 6yfumiS5Wwa
InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3
InChIKey DUKNIHFTDAXJON-UHFFFAOYSA-N
Mol Weight 335.45 g/mol
Molecular Formula C21H25N3O
Exact Mass 335.199762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmgjbcI77rc
Name LSZ Isomer I
Classification Hallucinogenic ergoline designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 335.199762436 u
Formula C21H25N3O
InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3
InChIKey DUKNIHFTDAXJON-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 335.451 g/mol
Nominal Mass 335 u
Quality 948
Retention Index 3174
SMILES C12C(C3=C4C(C2)=CNC4=CC=C3)=CC(C(N2C(CC2C)C)=O)CN1C
SPLASH splash10-05fr-2971000000-be9c3ebf25b66e72ae27
Sample Comments Stereo configuration unknown
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms L-1 isomer LA-SS-Az isomer II Lysergic acid 2,4-dimethylazetidide isomer (8-beta)-8-([(2S,4S)-2,4-Dimethylazetidin-1-yl]carbonyl)-6-methyl-9,10-didehydroergoline
Technique GC/MS
Wiley ID DD2024_020098