1-[3-Phenyl-2-oxo-1-(hydroxymethyl)-1-methylpropyl]perhydroazine

SpectraBase Compound ID	4oztULz1N7N
InChI	InChI=1S/C16H23NO2/c1-16(13-18,17-10-6-3-7-11-17)15(19)12-14-8-4-2-5-9-14/h2,4-5,8-9,18H,3,6-7,10-13H2,1H3
InChIKey	HZZMEFQLUNHXPS-UHFFFAOYSA-N Google Search
Mol Weight	261.36 g/mol
Molecular Formula	C16H23NO2
Exact Mass	261.172879 g/mol

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SpectraBase Spectrum ID	JGWuGY3oklh
Name	1-[3-Phenyl-2-oxo-1-(hydroxymethyl)-1-methylpropyl]perhydroazine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	261.172878983 u
Formula	C16H23NO2
InChI	InChI=1S/C16H23NO2/c1-16(13-18,17-10-6-3-7-11-17)15(19)12-14-8-4-2-5-9-14/h2,4-5,8-9,18H,3,6-7,10-13H2,1H3
InChIKey	HZZMEFQLUNHXPS-UHFFFAOYSA-N
Molecular Weight	261.365 g/mol
SMILES	C(C(CC1=CC=CC=C1)=O)(N1CCCCC1)(CO)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.923379