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3-(2-Chloro-2-cyano-1-phenyl-1-ethenyl)-1-cyclohexyl-4-(cyclohexylimino)-3-phenyl-2-azetidinone
SpectraBase Compound ID 5ZuBvrE05oI
InChI InChI=1S/C30H32ClN3O/c31-26(21-32)27(22-13-5-1-6-14-22)30(23-15-7-2-8-16-23)28(33-24-17-9-3-10-18-24)34(29(30)35)25-19-11-4-12-20-25/h1-2,5-8,13-16,24-25H,3-4,9-12,17-20H2/b27-26-,33-28-
InChIKey YKPCASQDVLSJDG-UUUFCBGXSA-N
Mol Weight 486.1 g/mol
Molecular Formula C30H32ClN3O
Exact Mass 485.22339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MR0c4NU50T
Name 3-(2-Chloro-2-cyano-1-phenyl-1-ethenyl)-1-cyclohexyl-4-(cyclohexylimino)-3-phenyl-2-azetidinone
CAS Registry Number 97315-69-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32ClN3O
InChI InChI=1S/C30H32ClN3O/c31-26(21-32)27(22-13-5-1-6-14-22)30(23-15-7-2-8-16-23)28(33-24-17-9-3-10-18-24)34(29(30)35)25-19-11-4-12-20-25/h1-2,5-8,13-16,24-25H,3-4,9-12,17-20H2/b27-26-,33-28-
InChIKey YKPCASQDVLSJDG-UUUFCBGXSA-N
Molecular Weight 486.059 g/mol
SMILES C1(\C(=N\C2CCCCC2)N(C1=O)C1CCCCC1)(\C(=C\(C#N)Cl)c1ccccc1)c1ccccc1
SPLASH splash10-016r-0090000000-d0db104f4e58ed62de0a
Source of Spectrum J-50-3228-11
Synonyms (2Z)-2-chloro-3-[(2Z)-1-cyclohexyl-2-(cyclohexylimino)-4-oxo-3-phenylazetidinyl]-3-phenyl-2-propenenitrile
Wiley ID 1396308