Heptanamide, N-[3-[(2-cyanoethyl)amino]propyl]-N-hexyl-

SpectraBase Compound ID	BefSzzg0Zkn
InChI	InChI=1S/C19H37N3O/c1-3-5-7-9-13-19(23)22(17-10-8-6-4-2)18-12-16-21-15-11-14-20/h21H,3-13,15-18H2,1-2H3
InChIKey	KSQHXVFDUPCMQV-UHFFFAOYSA-N Google Search
Mol Weight	323.5 g/mol
Molecular Formula	C19H37N3O
Exact Mass	323.293663 g/mol

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SpectraBase Spectrum ID	3mX9aJ0AkLQ
Name	Heptanamide, N-[3-[(2-cyanoethyl)amino]propyl]-N-hexyl-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	323.293662822 u
Formula	C19H37N3O
InChI	InChI=1S/C19H37N3O/c1-3-5-7-9-13-19(23)22(17-10-8-6-4-2)18-12-16-21-15-11-14-20/h21H,3-13,15-18H2,1-2H3
InChIKey	KSQHXVFDUPCMQV-UHFFFAOYSA-N
Molecular Weight	323.525 g/mol
SMILES	C(#N)CCNCCCN(C(=O)CCCCCC)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.976664