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4-Hydroxymethyl[2.2.2]paracyclophane

View entire compound with spectra: 1 MS (GC)

4-Hydroxymethyl[2.2.2]paracyclophane
SpectraBase Compound ID 5O0OG9Q6CJp
InChI InChI=1S/C25H26O/c26-18-25-17-23-12-11-21-5-3-19(4-6-21)1-2-20-7-9-22(10-8-20)13-15-24(25)16-14-23/h3-10,14,16-17,26H,1-2,11-13,15,18H2
InChIKey CHJWIBGRWRMKPW-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C25H26O
Exact Mass 342.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDiK2C6dyBa
Name 4-Hydroxymethyl[2.2.2]paracyclophane
Alternate Name(s) tetracyclo[14.2.2.2(4,7).2(10,13)]tetracosa-1(18),4,6,10,12,16,19,21,23-nonaen-5-ylmethanol
Comments Less than 3 mono-isotopic peaks
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Formula C25H26O
InChI InChI=1S/C25H26O/c26-18-25-17-23-12-11-21-5-3-19(4-6-21)1-2-20-7-9-22(10-8-20)13-15-24(25)16-14-23/h3-10,14,16-17,26H,1-2,11-13,15,18H2
InChIKey CHJWIBGRWRMKPW-UHFFFAOYSA-N
Molecular Weight 342.482 g/mol
SMILES OCc1c2CCc3ccc(cc3)CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-00di-0009000000-bd00e02f2372897b5113
Source of Spectrum U-1995-1524-5
Wiley ID 767312