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XLR11 N-(4-pentenyl) analog
SpectraBase Compound ID GJ9wg63QFZ5
InChI InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
InChIKey NXTLUQFOTQPMOD-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GR69YT8imW
Name XLR-11-A (-HF)
Classification Designer drug artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
InChIKey NXTLUQFOTQPMOD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.453 g/mol
Nominal Mass 309 u
Quality 879
Retention Index 2518
SMILES C1(C(C1C(C=1C=2C(N(C1)CCCC=C)=CC=CC2)=O)(C)C)(C)C
SPLASH splash10-03di-2591000000-cce5dc2eda330bdf90b1
Sample Comments Double bond position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms UR-144 (-2H) (1-(pent-4-en-1-yl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
Technique GC/MS
Wiley ID DD2024_017059