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Isotonitazene

View entire compound with spectra: 3 MS (GC)

Isotonitazene
SpectraBase Compound ID AiAo8HgfEIJ
InChI InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKey OIOQREYBGDAYGT-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C23H30N4O3
Exact Mass 410.231791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A453KwvcozG
Name Isotonitazene
Catalog Number 27255
CAS Registry Number 14188-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N4O3
InChI InChI=1S/C23H30N4O3/c1-5-25(6-2)13-14-26-22-12-9-19(27(28)29)16-21(22)24-23(26)15-18-7-10-20(11-8-18)30-17(3)4/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKey OIOQREYBGDAYGT-UHFFFAOYSA-N
Molecular Weight 410.518 g/mol
SMILES [N+]([O-])(=O)c1ccc2c(c1)nc([n]2CCN(CC)CC)Cc1ccc(cc1)OC(C)C
SPLASH splash10-000i-9100000000-92480430ec7da931f316
Source of Spectrum CAY-2023-433-0
Wiley ID 1888398