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5-[4'-(Dibenzylamino)but-2'-ynyl]-1,5-diazabicyclo[5.4.0]undecan-6-one
SpectraBase Compound ID Jm7EVJNhssQ
InChI InChI=1S/C27H33N3O/c31-27-26-16-7-8-18-29(26)20-11-21-30(27)19-10-9-17-28(22-24-12-3-1-4-13-24)23-25-14-5-2-6-15-25/h1-6,12-15,26H,7-8,11,16-23H2
InChIKey URGWTJUPAGRMDZ-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C27H33N3O
Exact Mass 415.262363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4mGE2QNoDX
Name 5-[4'-(Dibenzylamino)but-2'-ynyl]-1,5-diazabicyclo[5.4.0]undecan-6-one
Alternate Name(s) 2-[4-(dibenzylamino)-2-butynyl]octahydropyrido[1,2-a][1,4]diazepin-1(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33N3O
InChI InChI=1S/C27H33N3O/c31-27-26-16-7-8-18-29(26)20-11-21-30(27)19-10-9-17-28(22-24-12-3-1-4-13-24)23-25-14-5-2-6-15-25/h1-6,12-15,26H,7-8,11,16-23H2
InChIKey URGWTJUPAGRMDZ-UHFFFAOYSA-N
Molecular Weight 415.581 g/mol
SMILES C1(C2N(CCCN1CC#CCN(Cc1ccccc1)Cc1ccccc1)CCCC2)=O
SPLASH splash10-00kf-9811000000-a4a2de5bb56162277c7c
Source of Spectrum H-79-1383-5
Wiley ID 1376079