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2-(4-Butoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,6,2-dioxazaborocane
SpectraBase Compound ID 5w7m57jmokn
InChI InChI=1S/C22H36BNO3/c1-6-7-12-25-19-16-17(23-26-13-10-24-11-14-27-23)15-18-20(19)22(4,5)9-8-21(18,2)3/h15-16,24H,6-14H2,1-5H3
InChIKey GZJWKBLJIOFUPO-UHFFFAOYSA-N
Mol Weight 373.3 g/mol
Molecular Formula C22H36BNO3
Exact Mass 373.278824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jgoHxnCb7m
Name 2-(4-Butoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,6,2-dioxazaborocane
Appearance White powder
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Formula C22H36BNO3
InChI InChI=1S/C22H36BNO3/c1-6-7-12-25-19-16-17(23-26-13-10-24-11-14-27-23)15-18-20(19)22(4,5)9-8-21(18,2)3/h15-16,24H,6-14H2,1-5H3
InChIKey GZJWKBLJIOFUPO-UHFFFAOYSA-N
Instrument Name Hewlett-Packard HP59970
Ionization Type EI
Literature Reference DOI 10.1021/jm900096q
Molecular Weight 373.344 g/mol
Reported Formula C22H36BNO3
SMILES N1CCOB(OCC1)c1cc(OCCCC)c2c(c1)C(CCC2(C)C)(C)C
SPLASH splash10-06xt-0359000000-2a2776b06227edf2fa57
Source of Spectrum AF-52-SM8-22d
Wiley ID 1873533