Phenyl-pa-M13:0 [5-phenyltridecyl-N-methylpiperazinamide]

SpectraBase Compound ID	JEpMwUnXByc
InChI	InChI=1S/C24H40N2O/c1-25-19-21-26(22-20-25)24(27)18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h10,12-13,16-17H,2-9,11,14-15,18-22H2,1H3
InChIKey	SRCHUELWQBPAOW-UHFFFAOYSA-N Google Search
Mol Weight	372.6 g/mol
Molecular Formula	C24H40N2O
Exact Mass	372.314064 g/mol

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SpectraBase Spectrum ID	BVabllvfb5O
Name	Phenyl-pa-M13:0 [5-phenyltridecyl-N-methylpiperazinamide]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	372.314063915 u
Formula	C24H40N2O
InChI	InChI=1S/C24H40N2O/c1-25-19-21-26(22-20-25)24(27)18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h10,12-13,16-17H,2-9,11,14-15,18-22H2,1H3
InChIKey	SRCHUELWQBPAOW-UHFFFAOYSA-N
Molecular Weight	372.597 g/mol
SMILES	C(N1CCN(CC1)C)(=O)CCCCCCCCCCCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.822418