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AZOCYCLOTINE

View entire compound with spectra: 1 MS (GC)

AZOCYCLOTINE
SpectraBase Compound ID ECCVugLz1pC
InChI InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
InChIKey ONHBDDJJTDTLIR-UHFFFAOYSA-N
Mol Weight 436.2 g/mol
Molecular Formula C20H35N3Sn
Exact Mass 437.1853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GynLDuCczT
Name AZOCYCLOTINE
CAS Registry Number 41083-11-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 437.185300139 u
Formula C20H35N3Sn
InChI InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
InChIKey ONHBDDJJTDTLIR-UHFFFAOYSA-N
Molecular Weight 436.232 g/mol
Nominal Mass 437 u
Number of Peaks 158
SMILES C1CC([Sn](C2CCCCC2)(C2CCCCC2)[n]2ncnc2)CCC1
SPLASH splash10-052u-5933000000-53c1f240b0e6122f89f2
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 1-(tricyclohexylstannyl)-1H-1,2,4-triazole
Technique DI/MS
Wiley ID WID_MSPA_3565