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5-tert-Butyl-8-(1-hydroxypropyl)[2.2]metacyclophane
SpectraBase Compound ID 6oLhoEnCIUN
InChI InChI=1S/C23H30O/c1-5-21(24)22-18-11-9-16-7-6-8-17(13-16)10-12-19(22)15-20(14-18)23(2,3)4/h6-8,13-15,21,24H,5,9-12H2,1-4H3
InChIKey LNJMUSHLFQRNLP-UHFFFAOYSA-N
Mol Weight 322.49 g/mol
Molecular Formula C23H30O
Exact Mass 322.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjywZx7rKHs
Name 5-tert-Butyl-8-(1-hydroxypropyl)[2.2]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O
InChI InChI=1S/C23H30O/c1-5-21(24)22-18-11-9-16-7-6-8-17(13-16)10-12-19(22)15-20(14-18)23(2,3)4/h6-8,13-15,21,24H,5,9-12H2,1-4H3
InChIKey LNJMUSHLFQRNLP-UHFFFAOYSA-N
Molecular Weight 322.492 g/mol
SMILES OC(c1c2CCc3cc(CCc1cc(c2)C(C)(C)C)ccc3)CC
SPLASH splash10-03di-0090000000-add6fa7b9ae19b0e0824
Source of Spectrum KC-0-1889-3
Synonyms 1-[13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]-1-propanol
Wiley ID 786100