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(5RS,6SR)-1-(dibutylamino)-5,7-dinitroso-3-phenyl-5,6-dihydroindolizin-6-ol
SpectraBase Compound ID Hl4D1OMiliF
InChI InChI=1S/C22H28N4O3/c1-3-5-12-25(13-6-4-2)19-15-18(16-10-8-7-9-11-16)26-20(19)14-17(23-28)21(27)22(26)24-29/h7-11,14-15,21-22,27H,3-6,12-13H2,1-2H3/t21-,22-/m0/s1
InChIKey OJAAGTCWNSHEED-VXKWHMMOSA-N
Mol Weight 396.49 g/mol
Molecular Formula C22H28N4O3
Exact Mass 396.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oOnZdHA2fY
Name (5RS,6SR)-1-(dibutylamino)-5,7-dinitroso-3-phenyl-5,6-dihydroindolizin-6-ol
Carrier Gas Nitrogen (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.216140775 u
Formula C22H28N4O3
GC Column HP-5MS (0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C22H28N4O3/c1-3-5-12-25(13-6-4-2)19-15-18(16-10-8-7-9-11-16)26-20(19)14-17(23-28)21(27)22(26)24-29/h7-11,14-15,21-22,27H,3-6,12-13H2,1-2H3/t21-,22-/m0/s1
InChIKey OJAAGTCWNSHEED-VXKWHMMOSA-N
Instrument Name Agilent 5763
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215916
Molecular Weight 396.491 g/mol
Quality 814
SMILES O[C@@]1([C@](N2C(=CC(N(CCCC)CCCC)=C2C=C1N=O)C1=CC=CC=C1)(N=O)[H])[H]
SPLASH splash10-0mti-9410000000-b3e3a1d4cadb03fe8fe4
Source of Spectrum ACI-62-SM96-11 (DOI: 10.1002/anie.202215916)
Wiley ID 1908323