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N-Pyrrolidino protonitazene
SpectraBase Compound ID 1LPYuFC8oqJ
InChI InChI=1S/C23H28N4O3/c1-2-15-30-20-8-5-18(6-9-20)16-23-24-21-17-19(27(28)29)7-10-22(21)26(23)14-13-25-11-3-4-12-25/h5-10,17H,2-4,11-16H2,1H3
InChIKey KCRWXNIIXGBPID-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C23H28N4O3
Exact Mass 408.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID In17QysyFZB
Name N-Pyrrolidino Protonitazene
Catalog Number 37456
Lot Number 654417
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.216140775 u
Formula C23H28N4O3
InChI InChI=1S/C23H28N4O3/c1-2-15-30-20-8-5-18(6-9-20)16-23-24-21-17-19(27(28)29)7-10-22(21)26(23)14-13-25-11-3-4-12-25/h5-10,17H,2-4,11-16H2,1H3
InChIKey KCRWXNIIXGBPID-UHFFFAOYSA-N
Molecular Weight 408.502 g/mol
Purity >=98%
Quality 985
SMILES [N+]([O-])(=O)C1=CC=C2C(=C1)N=C(N2CCN1CCCC1)CC1=CC=C(C=C1)OCCC
SPLASH splash10-001i-9100000000-8094d3e451781757c971
Source of Spectrum CAY-2024-2169-0
Synonyms Protonitazepyne 5-nitro-2-[(4-propoxyphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole
Wiley ID 1890368