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(.+-.)-Celafurine

View entire compound with spectra: 1 MS (GC)

(.+-.)-Celafurine
SpectraBase Compound ID 6qeK2leSSxt
InChI InChI=1S/C21H27N3O3/c25-20-15-19(17-7-2-1-3-8-17)22-10-4-5-12-24(13-6-11-23-20)21(26)18-9-14-27-16-18/h1-3,7-9,14,16,19,22H,4-6,10-13,15H2,(H,23,25)
InChIKey CNJPJUFFFBTCBZ-UHFFFAOYSA-N
Mol Weight 369.47 g/mol
Molecular Formula C21H27N3O3
Exact Mass 369.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r6QnVutA7n
Name (.+-.)-Celafurine
Alternate Name(s) 1,5,9-Triazacyclotridecan-4-one, 9-(3-furanylcarbonyl)-2-phenyl-, (.+-.)- 9-(3-furoyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one 9-(furan-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one 9-(furan-3-ylcarbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one 9-[3-furanyl(oxo)methyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one
CAS Registry Number 79435-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O3
InChI InChI=1S/C21H27N3O3/c25-20-15-19(17-7-2-1-3-8-17)22-10-4-5-12-24(13-6-11-23-20)21(26)18-9-14-27-16-18/h1-3,7-9,14,16,19,22H,4-6,10-13,15H2,(H,23,25)
InChIKey CNJPJUFFFBTCBZ-UHFFFAOYSA-N
Molecular Weight 369.465 g/mol
SMILES N1CCCN(CCCCNC(c2ccccc2)CC1=O)C(c1cocc1)=O
SPLASH splash10-006t-9657000000-fd82f0db6a8478f653f4
Source of Spectrum C-103-6136-0
Wiley ID 1353753