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2-Chloro-11-(4-(cyclohex-2-en-1-yl)piperazin-1-yl)dibenzo[b,f][1,4]oxazepine
SpectraBase Compound ID 7dkYbh0ZwUc
InChI InChI=1S/C23H24ClN3O/c24-17-10-11-21-19(16-17)23(25-20-8-4-5-9-22(20)28-21)27-14-12-26(13-15-27)18-6-2-1-3-7-18/h2,4-6,8-11,16,18H,1,3,7,12-15H2
InChIKey BDPZMIJDIODRCQ-UHFFFAOYSA-N
Mol Weight 393.92 g/mol
Molecular Formula C23H24ClN3O
Exact Mass 393.16079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85XfL92bcQ4
Name 2-Chloro-11-(4-(cyclohex-2-en-1-yl)piperazin-1-yl)dibenzo[b,f][1,4]oxazepine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.160790104 u
Formula C23H24ClN3O
InChI InChI=1S/C23H24ClN3O/c24-17-10-11-21-19(16-17)23(25-20-8-4-5-9-22(20)28-21)27-14-12-26(13-15-27)18-6-2-1-3-7-18/h2,4-6,8-11,16,18H,1,3,7,12-15H2
InChIKey BDPZMIJDIODRCQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202304445
Molecular Weight 393.918 g/mol
Quality 115
Reported Formula C23H24ON3Cl
SMILES C1N(CCN(C1)C1=NC2=C(OC3=C1C=C(C=C3)Cl)C=CC=C2)C1CCCC=C1
SPLASH splash10-001l-7970000000-67b2aa4a57fb39d20455
Source of Spectrum ACI-62-SM36-1j (DOI: 10.1002/anie.202304445)
Wiley ID 1911125