(sp,S)-5-Hydroxy-4-[2-[N-(4-hydroxy-2-methylbut-3-yl)imino]ethyl]-[2.2]paracyclophane

SpectraBase Compound ID	1pyUo8Bqfpm
InChI	InChI=1S/C23H29NO2/c1-15(2)21(14-25)24-16(3)22-19-9-7-17-5-4-6-18(13-17)8-10-20(12-11-19)23(22)26/h4-6,11-13,15,21,25-26H,7-10,14H2,1-3H3/b24-16+/t21-/m1/s1
InChIKey	SYQBEOWERFWWFD-KCOUNZPASA-N Google Search
Mol Weight	351.49 g/mol
Molecular Formula	C23H29NO2
Exact Mass	351.219829 g/mol

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SpectraBase Spectrum ID	Ju89q0HRAvz
Name	(sp,S)-5-Hydroxy-4-[2-[N-(4-hydroxy-2-methylbut-3-yl)imino]ethyl]-[2.2]paracyclophane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	351.219829176 u
Formula	C23H29NO2
InChI	InChI=1S/C23H29NO2/c1-15(2)21(14-25)24-16(3)22-19-9-7-17-5-4-6-18(13-17)8-10-20(12-11-19)23(22)26/h4-6,11-13,15,21,25-26H,7-10,14H2,1-3H3/b24-16+/t21-/m1/s1
InChIKey	SYQBEOWERFWWFD-KCOUNZPASA-N
Molecular Weight	351.490 g/mol
SMILES	C=1(\C(=N\[C@@](C(C)C)(CO)[H])C)C(=C2CCC=3C=CC=C(C3)CCC1C=C2)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.884689