pa-C15:0 [5-(3,4-Methylenedioxyphenyl)pentadecylpyrrolidinamide]

SpectraBase Compound ID	38D512dH3lB
InChI	InChI=1S/C26H41NO3/c28-26(27-19-13-14-20-27)16-12-10-8-6-4-2-1-3-5-7-9-11-15-23-17-18-24-25(21-23)30-22-29-24/h17-18,21H,1-16,19-20,22H2
InChIKey	NGCWTKHKYSQUOK-UHFFFAOYSA-N Google Search
Mol Weight	415.6 g/mol
Molecular Formula	C26H41NO3
Exact Mass	415.308644 g/mol

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SpectraBase Spectrum ID	KWalZhvQt2s
Name	pa-C15:0 [5-(3,4-Methylenedioxyphenyl)pentadecylpyrrolidinamide]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	415.308644181 u
Formula	C26H41NO3
InChI	InChI=1S/C26H41NO3/c28-26(27-19-13-14-20-27)16-12-10-8-6-4-2-1-3-5-7-9-11-15-23-17-18-24-25(21-23)30-22-29-24/h17-18,21H,1-16,19-20,22H2
InChIKey	NGCWTKHKYSQUOK-UHFFFAOYSA-N
Molecular Weight	415.618 g/mol
SMILES	C(N1CCCC1)(=O)CCCCCCCCCCCCCCC1=CC=2OCOC2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.906725