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3-(8-Benzyl-2-butyl-9-methyl-2,8-diazabicyclo[3.3.1]non-3-en-4-yl)-2-methylpropenal
SpectraBase Compound ID GELxh1gfWH8
InChI InChI=1S/C23H32N2O/c1-4-5-12-24-16-21(14-18(2)17-26)22-11-13-25(23(24)19(22)3)15-20-9-7-6-8-10-20/h6-10,14,16-17,19,22-23H,4-5,11-13,15H2,1-3H3/b18-14+/t19-,22+,23-/m0/s1
InChIKey NDLXRJAHUFAHLF-APFGVZJRSA-N
Mol Weight 352.5 g/mol
Molecular Formula C23H32N2O
Exact Mass 352.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ6wZ3PBtRY
Name 3-(8-Benzyl-2-butyl-9-methyl-2,8-diazabicyclo[3.3.1]non-3-en-4-yl)-2-methylpropenal
Alternate Name(s) (2E)-3-(8-benzyl-2-butyl-9-methyl-2,8-diazabicyclo[3.3.1]non-3-en-4-yl)-2-methyl-2-propenal
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O
InChI InChI=1S/C23H32N2O/c1-4-5-12-24-16-21(14-18(2)17-26)22-11-13-25(23(24)19(22)3)15-20-9-7-6-8-10-20/h6-10,14,16-17,19,22-23H,4-5,11-13,15H2,1-3H3/b18-14+/t19-,22+,23-/m0/s1
InChIKey NDLXRJAHUFAHLF-APFGVZJRSA-N
Molecular Weight 352.522 g/mol
SMILES C(\C(=C\C1=CN([C@]2(N(CC[C@@]1([C@@]2(C)[H])[H])Cc1ccccc1)[H])CCCC)C)=O
SPLASH splash10-0udi-3009000000-387d240ded2c97c3a91f
Source of Spectrum J-64-7385-17
Wiley ID 1531093