4,13-bis(1'(S)-Hydroxy-2'-hexyn-1'-yl)-[2.2]paracyclophane

SpectraBase Compound ID	EZObhaRt8h6
InChI	InChI=1S/C30H36O2/c1-3-5-7-9-11-29(31)27-21-23-13-14-24-16-18-26(20-19-25(27)17-15-23)28(22-24)30(32)12-10-8-6-4-2/h15-18,21-22,29-32H,3-8,13-14,19-20H2,1-2H3/t29-,30-/m1/s1
InChIKey	ZRHDFBYDBZXDJV-LOYHVIPDSA-N Google Search
Mol Weight	428.6 g/mol
Molecular Formula	C30H36O2
Exact Mass	428.27153 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	K1CZsvWhZdY
Name	4,13-bis(1'(S)-Hydroxy-2'-hexyn-1'-yl)-[2.2]paracyclophane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	428.271530397 u
Formula	C30H36O2
InChI	InChI=1S/C30H36O2/c1-3-5-7-9-11-29(31)27-21-23-13-14-24-16-18-26(20-19-25(27)17-15-23)28(22-24)30(32)12-10-8-6-4-2/h15-18,21-22,29-32H,3-8,13-14,19-20H2,1-2H3/t29-,30-/m1/s1
InChIKey	ZRHDFBYDBZXDJV-LOYHVIPDSA-N
Molecular Weight	428.616 g/mol
SMILES	C=1(C=2CCC=3C([C@@](C#CCCCC)(O)[H])=CC(CCC(C1)=CC2)=CC3)[C@@](C#CCCCC)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.861572