For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,8-Difluoro-11-methyl-5-[2-(3'-formyl1',4',5',6'-tetrahydropyridinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
SpectraBase Compound ID Kmofi7FdqW8
InChI InChI=1S/C29H29F2N3O/c1-20-5-8-28(33-11-3-4-21(15-33)19-35)22(12-20)17-34-18-24-14-25(30)6-9-27(24)32(2)16-23-13-26(31)7-10-29(23)34/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3
InChIKey CPJXGGPVCZTSBG-UHFFFAOYSA-N
Mol Weight 473.57 g/mol
Molecular Formula C29H29F2N3O
Exact Mass 473.227869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KYsVY3OW4aI
Name 2,8-Difluoro-11-methyl-5-[2-(3'-formyl1',4',5',6'-tetrahydropyridinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
Alternate Name(s) 1-{2-[(2,8-difluoro-11-methyl-11,12-dihydrodibenzo[b,f][1,5]diazocin-5(6H)-yl)methyl]-4-methylphenyl}-1,4,5,6-tetrahydro-3-pyridinecarbaldehyde 2,8-Difluoro-11-methyl-5-[1-(3'-formyl1',4',5',6'-tetrahydropyridinyl)-4-methylbenzyl]dibenzo[b,f][1,5]diazocine 2,8-Difluoro-11-methyl-5-[1-(3'-formyl1',4',5',6'-tetrahydropyridinyl)-5-methylbenzyl]dibenzo[b,f][1,5]diazocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29F2N3O
InChI InChI=1S/C29H29F2N3O/c1-20-5-8-28(33-11-3-4-21(15-33)19-35)22(12-20)17-34-18-24-14-25(30)6-9-27(24)32(2)16-23-13-26(31)7-10-29(23)34/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3
InChIKey CPJXGGPVCZTSBG-UHFFFAOYSA-N
Molecular Weight 473.568 g/mol
SMILES c12N(Cc3c(N(Cc2cc(cc1)F)C)ccc(c3)F)Cc1c(N2C=C(C=O)CCC2)ccc(c1)C
SPLASH splash10-03xr-0090000000-6819f16515b3b22a0900
Source of Spectrum KC-0-1261-8
Wiley ID 825011