pa-A7:0 [5-(3,4-Methylenedioxyphenyl)heptylpiperamide]

SpectraBase Compound ID	KKsuuchn4NB
InChI	InChI=1S/C19H27NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h10-11,14H,1-9,12-13,15H2
InChIKey	AEYQYNZTXHXTKJ-UHFFFAOYSA-N Google Search
Mol Weight	317.43 g/mol
Molecular Formula	C19H27NO3
Exact Mass	317.199094 g/mol

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SpectraBase Spectrum ID	JHLrDIcmQH8
Name	pa-A7:0 [5-(3,4-Methylenedioxyphenyl)heptylpiperamide]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	317.199093730 u
Formula	C19H27NO3
InChI	InChI=1S/C19H27NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h10-11,14H,1-9,12-13,15H2
InChIKey	AEYQYNZTXHXTKJ-UHFFFAOYSA-N
Molecular Weight	317.429 g/mol
SMILES	C(N1CCCCC1)(=O)CCCCCCC1=CC=2OCOC2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.944065