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A-834,735-A
SpectraBase Compound ID A5wZAkwfsSI
InChI InChI=1S/C22H29NO2/c1-16(2)22(3,4)13-21(24)19-15-23(14-17-9-11-25-12-10-17)20-8-6-5-7-18(19)20/h5-8,15,17H,1,9-14H2,2-4H3
InChIKey SHMFIOCKSMJXSG-UHFFFAOYSA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jbkwiVw89w
Name A-834,735-A
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 339.219829176 u
Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-16(2)22(3,4)13-21(24)19-15-23(14-17-9-11-25-12-10-17)20-8-6-5-7-18(19)20/h5-8,15,17H,1,9-14H2,2-4H3
InChIKey SHMFIOCKSMJXSG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 339.479 g/mol
Nominal Mass 339 u
Quality 965
Retention Index 2831
SMILES C=12C(C(CC(C(=C)C)(C)C)=O)=CN(C2=CC=CC1)CC1CCOCC1
SPLASH splash10-0596-5895000000-bb0d65196992c0dc1f5e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,3,4-trimethyl-1-(1-(oxan-4-ylmethyl)-1H-indol-3-yl)pent-4-en-1-one
Technique GC/MS
Wiley ID DD2024_017249