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1,3-Dibenzoylazacyclotridecan-2-one
SpectraBase Compound ID F3KadDGsaVy
InChI InChI=1S/C26H31NO3/c28-24(21-15-9-7-10-16-21)23-19-13-5-3-1-2-4-6-14-20-27(26(23)30)25(29)22-17-11-8-12-18-22/h7-12,15-18,23H,1-6,13-14,19-20H2
InChIKey HMQMJLGVXNUTHU-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C26H31NO3
Exact Mass 405.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HztqdntqAXG
Name 1,3-Dibenzoylazacyclotridecan-2-one
CAS Registry Number 102222-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO3
InChI InChI=1S/C26H31NO3/c28-24(21-15-9-7-10-16-21)23-19-13-5-3-1-2-4-6-14-20-27(26(23)30)25(29)22-17-11-8-12-18-22/h7-12,15-18,23H,1-6,13-14,19-20H2
InChIKey HMQMJLGVXNUTHU-UHFFFAOYSA-N
Molecular Weight 405.538 g/mol
SMILES c1ccc(cc1)C(C1CCCCCCCCCCN(C1=O)C(c1ccccc1)=O)=O
SPLASH splash10-0a4i-8900000000-d06da0ca99508ab98ecb
Source of Spectrum W5-1989-35971-29565
Synonyms 1,3-bis(phenylcarbonyl)-1-azacyclotridecan-2-one 2,N-Dibenzoyl-12-dodecanelactam
Wiley ID 1371834