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1,2,3,4-Tetrahydro-beta-carboline
SpectraBase Compound ID KiXVSqOuMbm
InChI InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChIKey CFTOTSJVQRFXOF-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C11H12N2
Exact Mass 172.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kMYb67uOUi
Name 1,2,3,4-Tetrahydro-beta-carboline
CAS Registry Number 16502-01-5
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 172.100048394 u
Formula C11H12N2
InChI InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
InChIKey CFTOTSJVQRFXOF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.231 g/mol
Nominal Mass 172 u
Quality 821
Retention Index 1467
SMILES C12=C(C=3C(N2)=CC=CC3)CCNC1
SPLASH splash10-0006-1900000000-3aa5fe206ccf45a797ba
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms THBC Tetrahydronorharmane 2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole
Technique GC/MS
Wiley ID DD2024_031714