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N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester
SpectraBase Compound ID 5ZENxC4iArt
InChI InChI=1S/C27H41NO4/c1-7-8-9-10-11-12-13-22-14-16-23(17-15-22)18-19-27(20-30-26(5,6)31-21-27)28-24(29)32-25(2,3)4/h14-17H,7-13,20-21H2,1-6H3,(H,28,29)
InChIKey CNXYRSZXSYHVFC-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C27H41NO4
Exact Mass 443.303559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fqmW6iRgqz
Name N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester
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Formula C27H41NO4
InChI InChI=1S/C27H41NO4/c1-7-8-9-10-11-12-13-22-14-16-23(17-15-22)18-19-27(20-30-26(5,6)31-21-27)28-24(29)32-25(2,3)4/h14-17H,7-13,20-21H2,1-6H3,(H,28,29)
InChIKey CNXYRSZXSYHVFC-UHFFFAOYSA-N
Molecular Weight 443.628 g/mol
SMILES N(C1(COC(OC1)(C)C)C#Cc1ccc(cc1)CCCCCCCC)C(=O)OC(C)(C)C
SPLASH splash10-0002-2090000000-249b5ab2726b9010baef
Source of Spectrum F4-0-754-6
Synonyms tert-Butyl N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamate
Wiley ID 1619385