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3-Benzoylazacyclotridecan-2-one
SpectraBase Compound ID 6oVrmAoFYPA
InChI InChI=1S/C19H27NO2/c21-18(16-12-8-7-9-13-16)17-14-10-5-3-1-2-4-6-11-15-20-19(17)22/h7-9,12-13,17H,1-6,10-11,14-15H2,(H,20,22)
InChIKey QRSUAEOBUGPERW-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrjDjxbK0HE
Name 3-Benzoylazacyclotridecan-2-one
Alternate Name(s) 2-Benzoyl-12-dodecanelactam 3-(Phenylcarbonyl)-1-azacyclotridecan-2-one
CAS Registry Number 102222-15-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c21-18(16-12-8-7-9-13-16)17-14-10-5-3-1-2-4-6-11-15-20-19(17)22/h7-9,12-13,17H,1-6,10-11,14-15H2,(H,20,22)
InChIKey QRSUAEOBUGPERW-UHFFFAOYSA-N
Molecular Weight 301.430 g/mol
SMILES N1C(C(CCCCCCCCCC1)C(c1ccccc1)=O)=O
SPLASH splash10-0a6r-9600000000-ea6e2849f4f3a59bbf7e
Source of Spectrum W5-1989-34211-31325
Wiley ID 1304009