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5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(3-oxobutenyl)benzyl]benzene 2-iodinium
SpectraBase Compound ID KRZ9MKaX6za
InChI InChI=1S/C21H25IN2O/c1-15(25)6-7-17-13-19(23(2)3)10-8-16(17)12-18-9-11-20(24(4)5)14-21(18)22/h6-11,13-14H,12H2,1-5H3/b7-6+
InChIKey AJCUHJAWBINSCR-VOTSOKGWSA-N
Mol Weight 448.35 g/mol
Molecular Formula C21H25IN2O
Exact Mass 448.101158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LknI4ZPOsvp
Name 5-(N,N-Dimethyl)-2-[4-(N,N-dimetyl)-2-(3-oxobutenyl)benzyl]benzene 2-iodinium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25IN2O
InChI InChI=1S/C21H25IN2O/c1-15(25)6-7-17-13-19(23(2)3)10-8-16(17)12-18-9-11-20(24(4)5)14-21(18)22/h6-11,13-14H,12H2,1-5H3/b7-6+
InChIKey AJCUHJAWBINSCR-VOTSOKGWSA-N
Molecular Weight 448.348 g/mol
SMILES c1c(N(C)C)ccc(c1I)Cc1c(\C=C\C(=O)C)cc(cc1)N(C)C
SPLASH splash10-000b-0410900000-0856894b4396338f88bc
Source of Spectrum F-56-2964-5
Synonyms 5-(N,N-Dimethyl)-2-[4-(N,N-dimethyl)-2-(3-oxobutenyl)benzyl]benzene 2-iodinium
Wiley ID 856793