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1,4-bis[(Adamantyloxy)methyl]-benzene
SpectraBase Compound ID JSSIEnokHKS
InChI InChI=1S/C28H38O2/c1-2-20(18-30-28-14-24-8-25(15-28)10-26(9-24)16-28)4-3-19(1)17-29-27-11-21-5-22(12-27)7-23(6-21)13-27/h1-4,21-26H,5-18H2/t21-,22+,23-,24-,25+,26-,27-,28-
InChIKey JILNJZFLJSYYKL-AGDPYWSVSA-N
Mol Weight 406.6 g/mol
Molecular Formula C28H38O2
Exact Mass 406.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChGPaNsRUa4
Name 1,4-bis[(Adamantyloxy)methyl]-benzene
Alternate Name(s) 1-[[4-(1-Adamantyloxymethyl)phenyl]methoxy]adamantane
Comments Less than 3 mono-isotopic peaks
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Formula C28H38O2
InChI InChI=1S/C28H38O2/c1-2-20(18-30-28-14-24-8-25(15-28)10-26(9-24)16-28)4-3-19(1)17-29-27-11-21-5-22(12-27)7-23(6-21)13-27/h1-4,21-26H,5-18H2/t21-,22+,23-,24-,25+,26-,27-,28-
InChIKey JILNJZFLJSYYKL-AGDPYWSVSA-N
Molecular Weight 406.610 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])OCc1ccc(cc1)COC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-3900000000-811159aba81b0b2fa674
Source of Spectrum D1-1992-571-3c
Wiley ID 834441