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[2.2]paracyclophane-4-ethanol
SpectraBase Compound ID 9H2kMSn0b53
InChI InChI=1S/C18H20O/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13,19H,5-7,9,11-12H2
InChIKey MDKRNQDQKLYDLC-UHFFFAOYSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I03xiUfW57T
Name [2.2]paracyclophane-4-ethanol
Alternate Name(s) 2-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-ylethanol
CAS Registry Number 99002-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O
InChI InChI=1S/C18H20O/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13,19H,5-7,9,11-12H2
InChIKey MDKRNQDQKLYDLC-UHFFFAOYSA-N
Molecular Weight 252.357 g/mol
SMILES OCCc1c2ccc(c1)CCc1ccc(CC2)cc1
SPLASH splash10-0udi-0920000000-4aad12522da26e1660fd
Source of Spectrum K-120-1828-10
Wiley ID 1256380