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10-Acetyl-1,5-dibenzyl-8,12-dimethyl-1,5,10-triazacyclotetradecane

View entire compound with spectra: 1 MS (GC)

10-Acetyl-1,5-dibenzyl-8,12-dimethyl-1,5,10-triazacyclotetradecane
SpectraBase Compound ID KHSYpEQJni7
InChI InChI=1S/C29H43N3O/c1-25-15-19-30(23-28-11-6-4-7-12-28)17-10-18-31(24-29-13-8-5-9-14-29)20-16-26(2)22-32(21-25)27(3)33/h4-9,11-14,25-26H,10,15-24H2,1-3H3
InChIKey YJHFSOJONSCJOH-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C29H43N3O
Exact Mass 449.340613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FU3YEuXVLfk
Name 10-Acetyl-1,5-dibenzyl-8,12-dimethyl-1,5,10-triazacyclotetradecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H43N3O
InChI InChI=1S/C29H43N3O/c1-25-15-19-30(23-28-11-6-4-7-12-28)17-10-18-31(24-29-13-8-5-9-14-29)20-16-26(2)22-32(21-25)27(3)33/h4-9,11-14,25-26H,10,15-24H2,1-3H3
InChIKey YJHFSOJONSCJOH-UHFFFAOYSA-N
Molecular Weight 449.683 g/mol
SMILES C1N(CCC(CN(CC(CCN(CC1)Cc1ccccc1)C)C(=O)C)C)Cc1ccccc1
SPLASH splash10-0006-9210000000-70d54e0dee9ce15c9c1b
Source of Spectrum K1-2000-2372-12
Wiley ID 814783