16-(Methoxycarbonyl)-17-hydroxy-20-methyl[14]metacyclophane

SpectraBase Compound ID	HICRIoLqIPC
InChI	InChI=1S/C23H36O3/c1-18-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(18)22(21(24)17-19)23(25)26-2/h17,24H,3-16H2,1-2H3
InChIKey	KMSFUYMUFXBKOY-UHFFFAOYSA-N Google Search
Mol Weight	360.5 g/mol
Molecular Formula	C23H36O3
Exact Mass	360.266445 g/mol

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SpectraBase Spectrum ID	HkumEImGkVQ
Name	16-(Methoxycarbonyl)-17-hydroxy-20-methyl[14]metacyclophane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	360.266445016 u
Formula	C23H36O3
InChI	InChI=1S/C23H36O3/c1-18-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(18)22(21(24)17-19)23(25)26-2/h17,24H,3-16H2,1-2H3
InChIKey	KMSFUYMUFXBKOY-UHFFFAOYSA-N
Molecular Weight	360.538 g/mol
SMILES	C=1(C2=C(C)C(=CC1O)CCCCCCCCCCCCCC2)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.89926