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5-tert-Butyl-8-(1-hydroxyethyl)[2.2]metacyclophane
SpectraBase Compound ID 2bVwr6mdlOC
InChI InChI=1S/C22H28O/c1-15(23)21-18-10-8-16-6-5-7-17(12-16)9-11-19(21)14-20(13-18)22(2,3)4/h5-7,12-15,23H,8-11H2,1-4H3
InChIKey CJQVVFVCSYHYMG-UHFFFAOYSA-N
Mol Weight 308.46 g/mol
Molecular Formula C22H28O
Exact Mass 308.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enj5z8YDvMl
Name 5-tert-Butyl-8-(1-hydroxyethyl)[2.2]metacyclophane
Alternate Name(s) 1-[13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O
InChI InChI=1S/C22H28O/c1-15(23)21-18-10-8-16-6-5-7-17(12-16)9-11-19(21)14-20(13-18)22(2,3)4/h5-7,12-15,23H,8-11H2,1-4H3
InChIKey CJQVVFVCSYHYMG-UHFFFAOYSA-N
Molecular Weight 308.465 g/mol
SMILES OC(c1c2CCc3cc(CCc1cc(c2)C(C)(C)C)ccc3)C
SPLASH splash10-0a4i-7090000000-c586cf1347e8182f8d3c
Source of Spectrum KC-0-1889-3
Wiley ID 786101