(P)-Phenyl[1+1]cycloamide

SpectraBase Compound ID	Jp90YY7OgqN
InChI	InChI=1S/C45H38N2O2/c1-24-12-10-16-34-36-22-33-23-37(35-17-11-13-25(2)39(35)41(33)38(24)34)45(49)47-43-28(5)20-32(21-29(43)6)40(30-14-8-7-9-15-30)31-18-26(3)42(27(4)19-31)46-44(36)48/h7-23,40H,1-6H3,(H,46,48)(H,47,49)
InChIKey	IQARXRDEEIIVMF-UHFFFAOYSA-N Google Search
Mol Weight	638.8 g/mol
Molecular Formula	C45H38N2O2
Exact Mass	638.293328 g/mol

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SpectraBase Spectrum ID	CPMKRDmke96
Name	(P)-Phenyl[1+1]cycloamide
Comments	Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C45H38N2O2 - which differs from the formula reported for the mass spectrum (C45H68N2O2)
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H68N2O2
InChI	InChI=1S/C45H38N2O2/c1-24-12-10-16-34-36-22-33-23-37(35-17-11-13-25(2)39(35)41(33)38(24)34)45(49)47-43-28(5)20-32(21-29(43)6)40(30-14-8-7-9-15-30)31-18-26(3)42(27(4)19-31)46-44(36)48/h7-23,40H,1-6H3,(H,46,48)(H,47,49)
InChIKey	IQARXRDEEIIVMF-UHFFFAOYSA-N
Molecular Weight	638.811 g/mol
SMILES	N1c2c(cc(C(c3cc(c(c(c3)C)NC(c3cc4c(c5c(cccc35)C)c3c(c(C1=O)c4)cccc3C)=O)C)c1ccccc1)cc2C)C
SPLASH	splash10-014i-0000009000-970595181f6c5a462694
Source of Spectrum	F-55-14863-14
Wiley ID	840265